# generated using pymatgen
data_Pr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06776754
_cell_length_b   7.06776754
_cell_length_c   7.06776754
_cell_angle_alpha   148.91172092
_cell_angle_beta   148.91172092
_cell_angle_gamma   44.54126466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2CuO4
_chemical_formula_sum   'Pr2 Cu1 O4'
_cell_volume   93.85233411
_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
  Pr  Pr0  1  0.36216800  0.36216800  0.00000000  1.0
  Pr  Pr1  1  0.63783200  0.63783200  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  O  O3  1  0.18385800  0.18385800  0.00000000  1.0
  O  O4  1  0.81614200  0.81614200  0.00000000  1.0
  O  O5  1  0.00000000  0.50000000  0.50000000  1.0
  O  O6  1  0.50000000  0.00000000  0.50000000  1.0