# generated using pymatgen
data_CaPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10520000
_cell_length_b   6.32241500
_cell_length_c   8.44626500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPrO3
_chemical_formula_sum   'Ca4 Pr4 O12'
_cell_volume   326.02251855
_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
  Ca  Ca0  1  0.51698500  0.44603800  0.75000000  1.0
  Ca  Ca1  1  0.98301500  0.94603800  0.75000000  1.0
  Ca  Ca2  1  0.01698500  0.05396200  0.25000000  1.0
  Ca  Ca3  1  0.48301500  0.55396200  0.25000000  1.0
  Pr  Pr4  1  0.50000000  0.00000000  0.00000000  1.0
  Pr  Pr5  1  0.50000000  0.00000000  0.50000000  1.0
  Pr  Pr6  1  0.00000000  0.50000000  0.00000000  1.0
  Pr  Pr7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.66415500  0.89815100  0.25000000  1.0
  O  O9  1  0.69673600  0.69916100  0.59531500  1.0
  O  O10  1  0.69673600  0.69916100  0.90468500  1.0
  O  O11  1  0.80326400  0.19916100  0.59531500  1.0
  O  O12  1  0.80326400  0.19916100  0.90468500  1.0
  O  O13  1  0.83584500  0.39815100  0.25000000  1.0
  O  O14  1  0.16415500  0.60184900  0.75000000  1.0
  O  O15  1  0.19673600  0.80083900  0.40468500  1.0
  O  O16  1  0.19673600  0.80083900  0.09531500  1.0
  O  O17  1  0.30326400  0.30083900  0.09531500  1.0
  O  O18  1  0.30326400  0.30083900  0.40468500  1.0
  O  O19  1  0.33584500  0.10184900  0.75000000  1.0