# generated using pymatgen
data_Li12V3NiP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59350800
_cell_length_b   8.45175800
_cell_length_c   9.97812751
_cell_angle_alpha   84.70989285
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12V3NiP4(CO7)4
_chemical_formula_sum   'Li12 V3 Ni1 P4 C4 O28'
_cell_volume   553.68004282
_cell_formula_units_Z   1
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  0.00000000  0.90309500  0.61704700  1
  Li  Li1  1  0.00000000  0.90174000  0.11671800  1
  Li  Li2  1  0.22320900  0.72065600  0.87544400  1
  Li  Li3  1  0.77679100  0.72065600  0.87544400  1
  Li  Li4  1  0.22300100  0.72170300  0.37529500  1
  Li  Li5  1  0.77699900  0.72170300  0.37529500  1
  Li  Li6  1  0.72519100  0.27809000  0.62214500  1
  Li  Li7  1  0.27480900  0.27809000  0.62214500  1
  Li  Li8  1  0.72357600  0.27885600  0.12549900  1
  Li  Li9  1  0.27642400  0.27885600  0.12549900  1
  Li  Li10  1  0.50000000  0.09633700  0.88346300  1
  Li  Li11  1  0.50000000  0.09539500  0.38300000  1
  V  V12  1  0.50000000  0.67131100  0.60337600  1
  V  V13  1  0.50000000  0.67132100  0.10404800  1
  V  V14  1  0.00000000  0.32728600  0.89594900  1
  Ni  Ni15  1  0.00000000  0.33134600  0.39710200  1
  P  P16  1  0.00000000  0.58806000  0.63666400  1
  P  P17  1  0.00000000  0.58732700  0.14124700  1
  P  P18  1  0.50000000  0.40975900  0.86008900  1
  P  P19  1  0.50000000  0.41049600  0.35991000  1
  C  C20  1  0.50000000  0.96618200  0.65185000  1
  C  C21  1  0.50000000  0.96593600  0.15214300  1
  C  C22  1  0.00000000  0.03277600  0.84866800  1
  C  C23  1  0.00000000  0.04021400  0.35057700  1
  O  O24  1  0.50000000  0.92681300  0.52908300  1
  O  O25  1  0.00000000  0.88620900  0.82155600  1
  O  O26  1  0.50000000  0.92667800  0.02914000  1
  O  O27  1  0.50000000  0.85216500  0.74894600  1
  O  O28  1  0.00000000  0.89446500  0.32006300  1
  O  O29  1  0.50000000  0.85209400  0.24917400  1
  O  O30  1  0.18265400  0.69242600  0.58424600  1
  O  O31  1  0.81734600  0.69242600  0.58424600  1
  O  O32  1  0.18238100  0.69239700  0.08910600  1
  O  O33  1  0.81761900  0.69239700  0.08910600  1
  O  O34  1  0.50000000  0.57755600  0.90982900  1
  O  O35  1  0.00000000  0.56737000  0.79391000  1
  O  O36  1  0.50000000  0.57807300  0.40944900  1
  O  O37  1  0.00000000  0.56354400  0.29897900  1
  O  O38  1  0.50000000  0.42941900  0.70287200  1
  O  O39  1  0.00000000  0.42033500  0.58537800  1
  O  O40  1  0.50000000  0.42943600  0.20271400  1
  O  O41  1  0.00000000  0.42166300  0.08831600  1
  O  O42  1  0.31723700  0.30610900  0.91397000  1
  O  O43  1  0.68276300  0.30610900  0.91397000  1
  O  O44  1  0.68571600  0.30793300  0.41297800  1
  O  O45  1  0.31428400  0.30793300  0.41297800  1
  O  O46  1  0.00000000  0.14713300  0.75180000  1
  O  O47  1  0.50000000  0.11318300  0.67863400  1
  O  O48  1  0.00000000  0.15788400  0.25599600  1
  O  O49  1  0.00000000  0.07201100  0.97175500  1
  O  O50  1  0.50000000  0.11286700  0.17894100  1
  O  O51  1  0.00000000  0.07618000  0.47424800  1
