# generated using pymatgen
data_Li3NiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10060478
_cell_length_b   10.48464874
_cell_length_c   10.48499179
_cell_angle_alpha   104.25475379
_cell_angle_beta   87.93889718
_cell_angle_gamma   92.06786041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiPCO7
_chemical_formula_sum   'Li12 Ni4 P4 C4 O28'
_cell_volume   542.88649491
_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  0.02991000  0.75822500  0.75529500  1
  Li  Li1  1  0.02986600  0.25817200  0.25529700  1
  Li  Li2  1  0.97051500  0.50530900  0.50818400  1
  Li  Li3  1  0.97041200  0.00537200  0.00823200  1
  Li  Li4  1  0.42227700  0.02620300  0.20115200  1
  Li  Li5  1  0.42241100  0.52612800  0.70106900  1
  Li  Li6  1  0.57791700  0.95110000  0.77619800  1
  Li  Li7  1  0.57796300  0.45114700  0.27626300  1
  Li  Li8  1  0.43617100  0.94171700  0.46020900  1
  Li  Li9  1  0.43640600  0.44175100  0.96018600  1
  Li  Li10  1  0.56377200  0.21010100  0.69171200  1
  Li  Li11  1  0.56364700  0.71017600  0.19176200  1
  Ni  Ni12  1  0.05774900  0.73744300  0.00896400  1
  Ni  Ni13  1  0.94218200  0.25887300  0.98730200  1
  Ni  Ni14  1  0.05786500  0.23738300  0.50894000  1
  Ni  Ni15  1  0.94185200  0.75886500  0.48723100  1
  P  P16  1  0.96095800  0.95478700  0.29076400  1
  P  P17  1  0.96104800  0.45480300  0.79075600  1
  P  P18  1  0.03904900  0.04066600  0.70470000  1
  P  P19  1  0.03901300  0.54069800  0.20471200  1
  C  C20  1  0.52539700  0.29924400  0.44021600  1
  C  C21  1  0.52533200  0.79930200  0.94019600  1
  C  C22  1  0.47436000  0.69010600  0.54915100  1
  C  C23  1  0.47464600  0.19014300  0.04924200  1
  O  O24  1  0.34806800  0.34701000  0.37999300  1
  O  O25  1  0.34797800  0.84705400  0.87995600  1
  O  O26  1  0.65174400  0.62992600  0.59690800  1
  O  O27  1  0.65199900  0.12992000  0.09700300  1
  O  O28  1  0.77120200  0.32963000  0.42391600  1
  O  O29  1  0.77111500  0.82971800  0.92393400  1
  O  O30  1  0.22858000  0.67384800  0.57957600  1
  O  O31  1  0.22884400  0.17385900  0.07964600  1
  O  O32  1  0.08370300  0.91225700  0.14758200  1
  O  O33  1  0.08380700  0.41223700  0.64757700  1
  O  O34  1  0.91621500  0.89748800  0.66213600  1
  O  O35  1  0.91639600  0.39748200  0.16211900  1
  O  O36  1  0.05259600  0.10219300  0.33351300  1
  O  O37  1  0.05246600  0.60226700  0.83346100  1
  O  O38  1  0.94752800  0.08338300  0.85213600  1
  O  O39  1  0.94724000  0.58335900  0.35212100  1
  O  O40  1  0.45517500  0.22350700  0.51644400  1
  O  O41  1  0.45507300  0.72355100  0.01642900  1
  O  O42  1  0.54451500  0.76628600  0.47332700  1
  O  O43  1  0.54485900  0.26635400  0.97346600  1
  O  O44  1  0.65944200  0.93240600  0.29033500  1
  O  O45  1  0.65953200  0.43238200  0.79030900  1
  O  O46  1  0.34056900  0.04021800  0.68231800  1
  O  O47  1  0.34055900  0.54033000  0.18245900  1
  O  O48  1  0.09146500  0.88068600  0.38168300  1
  O  O49  1  0.09163400  0.38078700  0.88173000  1
  O  O50  1  0.90851300  0.13166300  0.63069100  1
  O  O51  1  0.90846800  0.63167900  0.13069800  1
