# generated using pymatgen
data_CaCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88648237
_cell_length_b   8.76764937
_cell_length_c   6.86859664
_cell_angle_alpha   77.38393399
_cell_angle_beta   59.93069579
_cell_angle_gamma   42.68537022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr2(PO5)2
_chemical_formula_sum   'Ca2 Cr4 P4 O20'
_cell_volume   337.73414895
_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  0.25000000  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr2  1  0.62500000  0.62500000  0.12500000  1.0
  Cr  Cr3  1  0.62500000  0.12500000  0.62500000  1.0
  Cr  Cr4  1  0.62500000  0.62500000  0.62500000  1.0
  Cr  Cr5  1  0.12500000  0.62500000  0.62500000  1.0
  P  P6  1  0.79202300  0.79202300  0.20797700  1.0
  P  P7  1  0.45797700  0.45797700  0.04202300  1.0
  P  P8  1  0.20797700  0.20797700  0.79202300  1.0
  P  P9  1  0.04202300  0.04202300  0.45797700  1.0
  O  O10  1  0.97079900  0.32959500  0.00657900  1.0
  O  O11  1  0.41392600  0.41392600  0.58607400  1.0
  O  O12  1  0.89468000  0.07451600  0.39100500  1.0
  O  O13  1  0.24342100  0.55697300  0.27920100  1.0
  O  O14  1  0.32959500  0.97079900  0.69302700  1.0
  O  O15  1  0.35532000  0.17548400  0.85899500  1.0
  O  O16  1  0.83607400  0.83607400  0.66392600  1.0
  O  O17  1  0.58607400  0.58607400  0.41392600  1.0
  O  O18  1  0.66392600  0.66392600  0.83607400  1.0
  O  O19  1  0.27920100  0.92040500  0.24342100  1.0
  O  O20  1  0.69302700  0.00657900  0.32959500  1.0
  O  O21  1  0.55697300  0.24342100  0.92040500  1.0
  O  O22  1  0.00657900  0.69302700  0.97079900  1.0
  O  O23  1  0.07451600  0.89468000  0.63979900  1.0
  O  O24  1  0.61020100  0.85899500  0.17548400  1.0
  O  O25  1  0.39100500  0.63979900  0.89468000  1.0
  O  O26  1  0.85899500  0.61020100  0.35532000  1.0
  O  O27  1  0.63979900  0.39100500  0.07451600  1.0
  O  O28  1  0.92040500  0.27920100  0.55697300  1.0
  O  O29  1  0.17548400  0.35532000  0.61020100  1.0