# generated using pymatgen
data_CaP(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85607700
_cell_length_b   6.49020230
_cell_length_c   8.22276110
_cell_angle_alpha   113.24406159
_cell_angle_beta   79.93765570
_cell_angle_gamma   116.27768146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP(H2O3)2
_chemical_formula_sum   'Ca2 P2 H8 O12'
_cell_volume   257.48156625
_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  0.25000000  0.17125200  0.65749600  1.0
  Ca  Ca1  1  0.75000000  0.82874800  0.34250400  1.0
  P  P2  1  0.25000000  0.67667600  0.64664700  1.0
  P  P3  1  0.75000000  0.32332400  0.35335300  1.0
  H  H4  1  0.58194400  0.27193400  0.98541600  1.0
  H  H5  1  0.91805600  0.74265000  0.98541600  1.0
  H  H6  1  0.41805600  0.72806600  0.01458400  1.0
  H  H7  1  0.08194400  0.25735000  0.01458400  1.0
  H  H8  1  0.75529000  0.35452500  0.82344600  1.0
  H  H9  1  0.74471000  0.82202900  0.82344600  1.0
  H  H10  1  0.24471000  0.64547500  0.17655400  1.0
  H  H11  1  0.25529000  0.17797100  0.17655400  1.0
  O  O12  1  0.42771200  0.81808900  0.76712400  1.0
  O  O13  1  0.07228800  0.41478700  0.76712400  1.0
  O  O14  1  0.57228800  0.18191100  0.23287600  1.0
  O  O15  1  0.92771200  0.58521300  0.23287600  1.0
  O  O16  1  0.09728800  0.82491200  0.52866400  1.0
  O  O17  1  0.40271200  0.64642400  0.52866400  1.0
  O  O18  1  0.90551600  0.18040100  0.45774300  1.0
  O  O19  1  0.59728800  0.35357600  0.47133600  1.0
  O  O20  1  0.57792400  0.29971400  0.85807200  1.0
  O  O21  1  0.92207600  0.84221300  0.85807200  1.0
  O  O22  1  0.42207600  0.70028600  0.14192800  1.0
  O  O23  1  0.07792400  0.15778700  0.14192800  1.0