data_[Sb4As8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9049]
_cell_length_b [10.8515]
_cell_length_c [7.0672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sb(AsSe3)2]
_chemical_formula_sum '[Sb4 As8 Se24]'
_cell_volume [940.7489]
_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
[
  Sb  Sb0  4  0.0000  0.0810  0.7500  1.0
  As  As1  8  0.2109  0.4191  0.9410  1.0
  Se  Se2  8  0.0688  0.4286  0.1097  1.0
  Se  Se3  8  0.1340  0.1001  0.1951  1.0
  Se  Se4  8  0.1555  0.2284  0.7167  1.0
]