# generated using pymatgen
data_Cr2PIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43080100
_cell_length_b   6.52798448
_cell_length_c   12.79264117
_cell_angle_alpha   104.52749024
_cell_angle_beta   89.99971402
_cell_angle_gamma   90.00041885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PIO4
_chemical_formula_sum   'Cr8 P4 I4 O16'
_cell_volume   519.86676137
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.35068600  0.06255500  0.60322500  1.0
  Cr  Cr1  1  0.85068200  0.43740400  0.89675200  1.0
  Cr  Cr2  1  0.01231200  0.30437700  0.39285900  1.0
  Cr  Cr3  1  0.51228900  0.19560600  0.10712500  1.0
  Cr  Cr4  1  0.14933900  0.56271800  0.10322500  1.0
  Cr  Cr5  1  0.64926600  0.93730900  0.39676700  1.0
  Cr  Cr6  1  0.98770400  0.69568600  0.60712300  1.0
  Cr  Cr7  1  0.48767500  0.80431900  0.89286300  1.0
  P  P8  1  0.36878900  0.30487100  0.87786600  1.0
  P  P9  1  0.86878600  0.19513500  0.62214200  1.0
  P  P10  1  0.13123000  0.80484800  0.37784900  1.0
  P  P11  1  0.63123100  0.69516000  0.12215000  1.0
  I  I12  1  0.52999200  0.33958100  0.34019500  1.0
  I  I13  1  0.47000000  0.66040500  0.65980200  1.0
  I  I14  1  0.02999100  0.16041500  0.15980800  1.0
  I  I15  1  0.96999800  0.83959100  0.84020200  1.0
  O  O16  1  0.17391500  0.70535900  0.26094900  1.0
  O  O17  1  0.67390500  0.79465600  0.23906200  1.0
  O  O18  1  0.82609300  0.29465100  0.73904800  1.0
  O  O19  1  0.32608600  0.20535400  0.76095600  1.0
  O  O20  1  0.33438700  0.90329800  0.43847400  1.0
  O  O21  1  0.66563100  0.09667800  0.56152000  1.0
  O  O22  1  0.83438600  0.59670800  0.06153200  1.0
  O  O23  1  0.16563500  0.40331200  0.93849400  1.0
  O  O24  1  0.53097500  0.49006100  0.89147500  1.0
  O  O25  1  0.96903600  0.99003200  0.39146700  1.0
  O  O26  1  0.46904100  0.50997400  0.10853900  1.0
  O  O27  1  0.03097100  0.00994400  0.60853200  1.0
  O  O28  1  0.96349200  0.36154900  0.56379000  1.0
  O  O29  1  0.03649400  0.63842400  0.43619200  1.0
  O  O30  1  0.53649700  0.86156700  0.06380300  1.0
  O  O31  1  0.46348700  0.13845400  0.93621400  1.0