data_[Sb4Ir4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2991]
_cell_length_b [6.1047]
_cell_length_c [6.3050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbIrS]
_chemical_formula_sum '[Sb4 Ir4 S4]'
_cell_volume [235.7578]
_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  0.1484  0.6244  0.3544  1.0
  Ir  Ir1  4  0.2671  0.0129  0.2578  1.0
  S  S2  4  0.3583  0.1235  0.6462  1.0
]