# generated using pymatgen
data_LiNi(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.65053200
_cell_length_b   9.02593900
_cell_length_c   10.21285400
_cell_angle_alpha   79.43181964
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi(PO3)5
_chemical_formula_sum   'Li4 Ni4 P20 O60'
_cell_volume   1236.96985726
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.89643800  0.10048500  0.71726900  1
  Li  Li1  1  0.39643800  0.89951500  0.78273100  1
  Li  Li2  1  0.10356200  0.89951500  0.28273100  1
  Li  Li3  1  0.60356200  0.10048500  0.21726900  1
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.00000000  0.50000000  0.50000000  1
  P  P8  1  0.57225900  0.80324900  0.58847300  1
  P  P9  1  0.25086000  0.00115900  0.52013300  1
  P  P10  1  0.85852700  0.52086800  0.75010700  1
  P  P11  1  0.92774100  0.80324900  0.08847300  1
  P  P12  1  0.08299400  0.18937900  0.42557300  1
  P  P13  1  0.14147300  0.47913200  0.24989300  1
  P  P14  1  0.36154000  0.48012000  0.24574900  1
  P  P15  1  0.35852700  0.47913200  0.74989300  1
  P  P16  1  0.07225900  0.19675100  0.91152700  1
  P  P17  1  0.41700600  0.18937900  0.92557300  1
  P  P18  1  0.58299400  0.81062100  0.07442700  1
  P  P19  1  0.75086000  0.99884100  0.97986700  1
  P  P20  1  0.24914000  0.00115900  0.02013300  1
  P  P21  1  0.64147300  0.52086800  0.25010700  1
  P  P22  1  0.42774100  0.19675100  0.41152700  1
  P  P23  1  0.91700600  0.81062100  0.57442700  1
  P  P24  1  0.86154000  0.51988000  0.25425100  1
  P  P25  1  0.63846000  0.51988000  0.75425100  1
  P  P26  1  0.74914000  0.99884100  0.47986700  1
  P  P27  1  0.13846000  0.48012000  0.74574900  1
  O  O28  1  0.62518400  0.50628500  0.39832300  1
  O  O29  1  0.14301600  0.30263200  0.80837500  1
  O  O30  1  0.64691000  0.69538900  0.18179900  1
  O  O31  1  0.07241700  0.56284100  0.82390600  1
  O  O32  1  0.14691000  0.30461100  0.31820100  1
  O  O33  1  0.42758300  0.56284100  0.32390600  1
  O  O34  1  0.98815200  0.72280600  0.50481300  1
  O  O35  1  0.73208000  0.07862000  0.09503900  1
  O  O36  1  0.15304700  0.10352300  0.00470000  1
  O  O37  1  0.01495700  0.28643500  0.99745600  1
  O  O38  1  0.16904800  0.12605900  0.53224500  1
  O  O39  1  0.92231400  0.43146900  0.67352900  1
  O  O40  1  0.42231400  0.56853100  0.82647100  1
  O  O41  1  0.35698400  0.30263200  0.30837500  1
  O  O42  1  0.98504300  0.71356500  0.00254400  1
  O  O43  1  0.07768600  0.56853100  0.32647100  1
  O  O44  1  0.84695300  0.89647700  0.99530000  1
  O  O45  1  0.37560900  0.49638500  0.09645700  1
  O  O46  1  0.85698400  0.69736800  0.19162500  1
  O  O47  1  0.25196800  0.53062300  0.26814300  1
  O  O48  1  0.76792000  0.07862000  0.59503900  1
  O  O49  1  0.57768600  0.43146900  0.17352900  1
  O  O50  1  0.75196800  0.46937700  0.23185700  1
  O  O51  1  0.66904800  0.87394100  0.96775500  1
  O  O52  1  0.48815200  0.27719400  0.99518700  1
  O  O53  1  0.12518400  0.49371500  0.10167700  1
  O  O54  1  0.57241700  0.43715900  0.67609400  1
  O  O55  1  0.48504300  0.28643500  0.49745600  1
  O  O56  1  0.34695300  0.10352300  0.50470000  1
  O  O57  1  0.73698800  0.10738100  0.34918100  1
  O  O58  1  0.99032800  0.90131100  0.15588600  1
  O  O59  1  0.01184800  0.27719400  0.49518700  1
  O  O60  1  0.62439100  0.50361500  0.90354300  1
  O  O61  1  0.37481600  0.49371500  0.60167700  1
  O  O62  1  0.50967200  0.90131100  0.65588600  1
  O  O63  1  0.24803200  0.53062300  0.76814300  1
  O  O64  1  0.26792000  0.92138000  0.90496100  1
  O  O65  1  0.54505300  0.93325100  0.13939200  1
  O  O66  1  0.33095200  0.12605900  0.03224500  1
  O  O67  1  0.64301600  0.69736800  0.69162500  1
  O  O68  1  0.04505300  0.06674900  0.36060800  1
  O  O69  1  0.65304700  0.89647700  0.49530000  1
  O  O70  1  0.49032800  0.09868900  0.34411400  1
  O  O71  1  0.23698800  0.89261900  0.15081900  1
  O  O72  1  0.51184800  0.72280600  0.00481300  1
  O  O73  1  0.23208000  0.92138000  0.40496100  1
  O  O74  1  0.26301200  0.89261900  0.65081900  1
  O  O75  1  0.00967200  0.09868900  0.84411400  1
  O  O76  1  0.51495700  0.71356500  0.50254400  1
  O  O77  1  0.87560900  0.50361500  0.40354300  1
  O  O78  1  0.87481600  0.50628500  0.89832300  1
  O  O79  1  0.95494700  0.93325100  0.63939200  1
  O  O80  1  0.74803200  0.46937700  0.73185700  1
  O  O81  1  0.92758300  0.43715900  0.17609400  1
  O  O82  1  0.76301200  0.10738100  0.84918100  1
  O  O83  1  0.45494700  0.06674900  0.86060800  1
  O  O84  1  0.83095200  0.87394100  0.46775500  1
  O  O85  1  0.12439100  0.49638500  0.59645700  1
  O  O86  1  0.35309000  0.30461100  0.81820100  1
  O  O87  1  0.85309000  0.69538900  0.68179900  1
