data_[Pr2Cr1Se2Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9651]
_cell_length_b [3.9651]
_cell_length_c [21.9350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr2Cr(SeBr2)2]
_chemical_formula_sum '[Pr2 Cr1 Se2 Br4]'
_cell_volume [298.6651]
_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  0.0000  0.0000  0.9959  1
  Pr  Pr1  1  0.6667  0.3333  0.6390  1
  Cr  Cr2  1  0.0000  0.0000  0.3242  1
  Se  Se3  1  0.6667  0.3333  0.2656  1
  Se  Se4  1  0.6667  0.3333  0.3828  1
  Br  Br5  1  0.0000  0.0000  0.5499  1
  Br  Br6  1  0.0000  0.0000  0.7282  1
  Br  Br7  1  0.6667  0.3333  0.0851  1
  Br  Br8  1  0.6667  0.3333  0.9066  1
]