# generated using pymatgen
data_CePrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93305300
_cell_length_b   3.93305300
_cell_length_c   5.65179900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePrO4
_chemical_formula_sum   'Ce1 Pr1 O4'
_cell_volume   87.42714690
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.50000000  0.00000000  0.76314600  1.0
  O  O3  1  0.00000000  0.50000000  0.23685400  1.0
  O  O4  1  0.50000000  0.00000000  0.23685400  1.0
  O  O5  1  0.00000000  0.50000000  0.76314600  1.0