# generated using pymatgen
data_CaP2(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90824200
_cell_length_b   8.17311129
_cell_length_c   5.64891142
_cell_angle_alpha   107.05331038
_cell_angle_beta   96.03920479
_cell_angle_gamma   108.20828697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP2(HO2)4
_chemical_formula_sum   'Ca2 P4 H8 O16'
_cell_volume   323.70217823
_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
  Ca  Ca0  1  0.54951900  0.79678800  0.68100900  1.0
  Ca  Ca1  1  0.45048100  0.20321200  0.31899100  1.0
  P  P2  1  0.85734800  0.53385500  0.73719400  1.0
  P  P3  1  0.14265200  0.46614500  0.26280600  1.0
  P  P4  1  0.68854000  0.80555900  0.27677200  1.0
  P  P5  1  0.31146000  0.19444100  0.72322800  1.0
  H  H6  1  0.06294300  0.40350400  0.66238100  1.0
  H  H7  1  0.93705700  0.59649600  0.33761900  1.0
  H  H8  1  0.94768300  0.82598400  0.98499600  1.0
  H  H9  1  0.05231700  0.17401600  0.01500400  1.0
  H  H10  1  0.75936800  0.12273900  0.14740500  1.0
  H  H11  1  0.24063200  0.87726100  0.85259500  1.0
  H  H12  1  0.00000000  0.50000000  0.00000000  1.0
  H  H13  1  0.00000000  0.00000000  0.50000000  1.0
  O  O14  1  0.68247000  0.48276700  0.58101700  1.0
  O  O15  1  0.31753000  0.51723300  0.41898300  1.0
  O  O16  1  0.86065900  0.35694200  0.87442300  1.0
  O  O17  1  0.13934100  0.64305800  0.12557700  1.0
  O  O18  1  0.03353700  0.57157900  0.68810900  1.0
  O  O19  1  0.96646300  0.42842100  0.31189100  1.0
  O  O20  1  0.88806100  0.80817700  0.85299900  1.0
  O  O21  1  0.11193900  0.19182300  0.14700100  1.0
  O  O22  1  0.63306500  0.95543700  0.40903200  1.0
  O  O23  1  0.36693500  0.04456300  0.59096800  1.0
  O  O24  1  0.67655400  0.94393400  0.10418100  1.0
  O  O25  1  0.32344600  0.05606600  0.89581900  1.0
  O  O26  1  0.57318400  0.53011300  0.20016800  1.0
  O  O27  1  0.42681600  0.46988700  0.79983200  1.0
  O  O28  1  0.89742100  0.83342400  0.36728600  1.0
  O  O29  1  0.10257900  0.16657600  0.63271400  1.0