data_[Pr4Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1518]
_cell_length_b [3.9744]
_cell_length_c [13.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrCrSe3]
_chemical_formula_sum '[Pr4 Cr4 Se12]'
_cell_volume [444.7048]
_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  0.0954  0.7500  0.1715  1
  Cr  Cr1  4  0.1624  0.2500  0.4490  1
  Se  Se2  4  0.0116  0.2500  0.6077  1
  Se  Se3  4  0.1565  0.2500  0.0042  1
  Se  Se4  4  0.1899  0.7500  0.7879  1
]