# generated using pymatgen
data_LiV3P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67155760
_cell_length_b   8.67155760
_cell_length_c   6.68507238
_cell_angle_alpha   72.71610646
_cell_angle_beta   72.71610646
_cell_angle_gamma   91.96248279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV3P3(HO6)2
_chemical_formula_sum   'Li2 V6 P6 H4 O24'
_cell_volume   454.15957450
_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  0.48889300  0.51110700  0.75000000  1
  Li  Li1  1  0.51110700  0.48889300  0.25000000  1
  V  V2  1  0.86789800  0.54255100  0.88295200  1
  V  V3  1  0.54255100  0.86789800  0.38295200  1
  V  V4  1  0.78707900  0.21292100  0.75000000  1
  V  V5  1  0.21292100  0.78707900  0.25000000  1
  V  V6  1  0.45744900  0.13210200  0.61704800  1
  V  V7  1  0.13210200  0.45744900  0.11704800  1
  P  P8  1  0.60000300  0.82024800  0.89593100  1
  P  P9  1  0.82024800  0.60000300  0.39593100  1
  P  P10  1  0.17628600  0.82371400  0.75000000  1
  P  P11  1  0.82371400  0.17628600  0.25000000  1
  P  P12  1  0.17975200  0.39999700  0.60406900  1
  P  P13  1  0.39999700  0.17975200  0.10406900  1
  H  H14  1  0.87483500  0.87821400  0.81255700  1
  H  H15  1  0.87821400  0.87483500  0.31255700  1
  H  H16  1  0.12178600  0.12516500  0.68744300  1
  H  H17  1  0.12516500  0.12178600  0.18744300  1
  O  O18  1  0.99511800  0.78944600  0.76527200  1
  O  O19  1  0.76326800  0.93463800  0.85276000  1
  O  O20  1  0.78944600  0.99511800  0.26527200  1
  O  O21  1  0.93463800  0.76326800  0.35276000  1
  O  O22  1  0.53707700  0.88972300  0.69997700  1
  O  O23  1  0.63509900  0.64261200  0.92400600  1
  O  O24  1  0.82442400  0.47745900  0.61578500  1
  O  O25  1  0.88972300  0.53707700  0.19997700  1
  O  O26  1  0.64261200  0.63509900  0.42400600  1
  O  O27  1  0.47745900  0.82442400  0.11578500  1
  O  O28  1  0.21233100  0.71730300  0.95914600  1
  O  O29  1  0.28269700  0.78766900  0.54085400  1
  O  O30  1  0.71730300  0.21233100  0.45914600  1
  O  O31  1  0.78766900  0.28269700  0.04085400  1
  O  O32  1  0.52254100  0.17557600  0.88421500  1
  O  O33  1  0.35738800  0.36490100  0.57599400  1
  O  O34  1  0.11027700  0.46292300  0.80002300  1
  O  O35  1  0.17557600  0.52254100  0.38421500  1
  O  O36  1  0.36490100  0.35738800  0.07599400  1
  O  O37  1  0.46292300  0.11027700  0.30002300  1
  O  O38  1  0.06536200  0.23673200  0.64724000  1
  O  O39  1  0.21055400  0.00488200  0.73472800  1
  O  O40  1  0.23673200  0.06536200  0.14724000  1
  O  O41  1  0.00488200  0.21055400  0.23472800  1
