data_[Pr4Cu4Se4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9631]
_cell_length_b [6.8737]
_cell_length_c [6.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrCuSeO]
_chemical_formula_sum '[Pr4 Cu4 Se4 O4]'
_cell_volume [271.7394]
_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
[
  Pr  Pr0  4  0.1202  0.5298  0.7647  1
  Cu  Cu1  4  0.4102  0.1706  0.9634  1
  Se  Se2  4  0.3773  0.5977  0.2140  1
  O  O3  4  0.0744  0.2249  0.0034  1
]