data_[Sb2S2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0346]
_cell_length_b [7.1804]
_cell_length_c [7.3890]
_cell_angle_alpha [95.0662]
_cell_angle_beta [93.2957]
_cell_angle_gamma [106.2991]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbSBr]
_chemical_formula_sum '[Sb2 S2 Br2]'
_cell_volume [203.8941]
_cell_formula_units_Z [2]
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  2  0.2637  0.5082  0.2170  1.0
  S  S1  2  0.1329  0.2900  0.9229  1.0
  Br  Br2  2  0.3350  0.7576  0.6550  1.0
]