# generated using pymatgen
data_CaPH4O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80423000
_cell_length_b   6.30402406
_cell_length_c   8.48356204
_cell_angle_alpha   109.19914809
_cell_angle_beta   92.91931124
_cell_angle_gamma   114.88877889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPH4O5F
_chemical_formula_sum   'Ca2 P2 H8 O10 F2'
_cell_volume   259.34738433
_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  0.25863600  0.46121500  0.85775600  1.0
  Ca  Ca1  1  0.74136400  0.53878500  0.14224400  1.0
  P  P2  1  0.73874300  0.94920500  0.84963200  1.0
  P  P3  1  0.26125700  0.05079500  0.15036800  1.0
  H  H4  1  0.62433300  0.40140900  0.63717700  1.0
  H  H5  1  0.37566700  0.59859100  0.36282300  1.0
  H  H6  1  0.82442900  0.76372700  0.49020100  1.0
  H  H7  1  0.17557100  0.23627300  0.50979900  1.0
  H  H8  1  0.33096700  0.87241300  0.46779900  1.0
  H  H9  1  0.66903300  0.12758700  0.53220100  1.0
  H  H10  1  0.76024200  0.06891800  0.31602100  1.0
  H  H11  1  0.23975800  0.93108200  0.68397900  1.0
  O  O12  1  0.85942500  0.94362300  0.93407300  1.0
  O  O13  1  0.14057500  0.05637700  0.06592700  1.0
  O  O14  1  0.90851500  0.92666500  0.72545800  1.0
  O  O15  1  0.09148500  0.07333500  0.27454200  1.0
  O  O16  1  0.31359000  0.70845700  0.96858800  1.0
  O  O17  1  0.68641000  0.29154300  0.03141200  1.0
  O  O18  1  0.70171500  0.60368400  0.60703300  1.0
  O  O19  1  0.29828500  0.39631600  0.39296700  1.0
  O  O20  1  0.55360400  0.04527600  0.34397600  1.0
  O  O21  1  0.44639600  0.95472400  0.65602400  1.0
  F  F22  1  0.07075400  0.67378400  0.26887700  1.0
  F  F23  1  0.92924600  0.32621600  0.73112300  1.0