# generated using pymatgen
data_CePrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80721005
_cell_length_b   6.80721005
_cell_length_c   6.80720979
_cell_angle_alpha   33.88115081
_cell_angle_beta   33.88115081
_cell_angle_gamma   33.88115254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePrO4
_chemical_formula_sum   'Ce1 Pr1 O4'
_cell_volume   87.36326138
_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  0.63094700  0.63094700  0.63094700  1.0
  O  O3  1  0.11855800  0.11855800  0.11855800  1.0
  O  O4  1  0.88144200  0.88144200  0.88144200  1.0
  O  O5  1  0.36905300  0.36905300  0.36905300  1.0