data_[Cr4Sb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3937]
_cell_length_b [3.8465]
_cell_length_c [13.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CrSbSe3]
_chemical_formula_sum '[Cr4 Sb4 Se12]'
_cell_volume [486.3753]
_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
[
  Cr  Cr0  4  0.1569  0.7500  0.4576  1.0
  Sb  Sb1  4  0.0286  0.7500  0.8444  1.0
  Se  Se2  4  0.0047  0.2500  0.3938  1.0
  Se  Se3  4  0.1749  0.7500  0.0183  1.0
  Se  Se4  4  0.2132  0.2500  0.7906  1.0
]