# generated using pymatgen
data_LiNi(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49357600
_cell_length_b   5.38471300
_cell_length_c   13.22151948
_cell_angle_alpha   69.19157040
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi(PO3)5
_chemical_formula_sum   'Li2 Ni2 P10 O30'
_cell_volume   631.80072064
_cell_formula_units_Z   2
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  0.29523900  0.93958500  0.41693300  1
  Li  Li1  1  0.70476100  0.93958500  0.91693300  1
  Ni  Ni2  1  0.98520800  0.03112200  0.49780500  1
  Ni  Ni3  1  0.01479200  0.03112200  0.99780500  1
  P  P4  1  0.00040500  0.01684900  0.24723100  1
  P  P5  1  0.52160800  0.55260600  0.35308400  1
  P  P6  1  0.19291100  0.36771200  0.58455800  1
  P  P7  1  0.18141700  0.62878800  0.91297500  1
  P  P8  1  0.47869100  0.44569800  0.64739700  1
  P  P9  1  0.81858300  0.62878800  0.41297500  1
  P  P10  1  0.52130900  0.44569800  0.14739700  1
  P  P11  1  0.80708900  0.36771200  0.08455800  1
  P  P12  1  0.99959500  0.01684900  0.74723100  1
  P  P13  1  0.47839200  0.55260600  0.85308400  1
  O  O14  1  0.89105600  0.77180900  0.29640200  1
  O  O15  1  0.10429200  0.26923100  0.69567300  1
  O  O16  1  0.51494600  0.28132100  0.93434500  1
  O  O17  1  0.34483800  0.69363200  0.88203600  1
  O  O18  1  0.14944200  0.77132600  0.98945900  1
  O  O19  1  0.84157500  0.20599000  0.01465000  1
  O  O20  1  0.39838200  0.74261900  0.33128800  1
  O  O21  1  0.85055800  0.77132600  0.48945900  1
  O  O22  1  0.10894400  0.77180900  0.79640200  1
  O  O23  1  0.58579400  0.51261700  0.24757300  1
  O  O24  1  0.92252000  0.05952000  0.83992300  1
  O  O25  1  0.81972000  0.66444800  0.03441600  1
  O  O26  1  0.49463200  0.70612100  0.55378200  1
  O  O27  1  0.61019200  0.27789000  0.67653400  1
  O  O28  1  0.65035300  0.27317400  0.12927700  1
  O  O29  1  0.07791100  0.96768000  0.15719300  1
  O  O30  1  0.65516200  0.69363200  0.38203600  1
  O  O31  1  0.34964700  0.27317400  0.62927700  1
  O  O32  1  0.60161800  0.74261900  0.83128800  1
  O  O33  1  0.48505400  0.28132100  0.43434500  1
  O  O34  1  0.84648100  0.33700000  0.44853700  1
  O  O35  1  0.07748000  0.05952000  0.33992300  1
  O  O36  1  0.89570800  0.26923100  0.19567300  1
  O  O37  1  0.92208900  0.96768000  0.65719300  1
  O  O38  1  0.15842500  0.20599000  0.51465000  1
  O  O39  1  0.41420600  0.51261700  0.74757300  1
  O  O40  1  0.50536800  0.70612100  0.05378200  1
  O  O41  1  0.38980800  0.27789000  0.17653400  1
  O  O42  1  0.18028000  0.66444800  0.53441600  1
  O  O43  1  0.15351900  0.33700000  0.94853700  1
