# generated using pymatgen
data_CaPrCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43635500
_cell_length_b   5.50389500
_cell_length_c   7.70476400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPrCr2O6
_chemical_formula_sum   'Ca2 Pr2 Cr4 O12'
_cell_volume   230.53522294
_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  0.48978700  0.20754800  0.00000000  1.0
  Ca  Ca1  1  0.98978700  0.79245200  0.50000000  1.0
  Pr  Pr2  1  0.00971800  0.70920800  0.00000000  1.0
  Pr  Pr3  1  0.50971800  0.29079200  0.50000000  1.0
  Cr  Cr4  1  0.00030300  0.24846100  0.75070300  1.0
  Cr  Cr5  1  0.00030300  0.24846100  0.24929700  1.0
  Cr  Cr6  1  0.50030300  0.75153900  0.25070300  1.0
  Cr  Cr7  1  0.50030300  0.75153900  0.74929700  1.0
  O  O8  1  0.07819300  0.22849500  0.50000000  1.0
  O  O9  1  0.21482400  0.96469900  0.79183600  1.0
  O  O10  1  0.21482400  0.96469900  0.20816400  1.0
  O  O11  1  0.28741100  0.46259600  0.20643400  1.0
  O  O12  1  0.28741100  0.46259600  0.79356600  1.0
  O  O13  1  0.41722300  0.73020500  0.50000000  1.0
  O  O14  1  0.57819300  0.77150500  0.00000000  1.0
  O  O15  1  0.71482400  0.03530100  0.70816400  1.0
  O  O16  1  0.71482400  0.03530100  0.29183600  1.0
  O  O17  1  0.78741100  0.53740400  0.70643400  1.0
  O  O18  1  0.78741100  0.53740400  0.29356600  1.0
  O  O19  1  0.91722300  0.26979500  0.00000000  1.0