data_[Sb2S2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.4611]
_cell_length_b [5.5867]
_cell_length_c [7.6638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SbSCl]
_chemical_formula_sum '[Sb2 S2 Cl2]'
_cell_volume [190.8337]
_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  0.1299  0.3504  0.8339  1.0
  S  S1  2  0.2355  0.9286  0.9337  1.0
  Cl  Cl2  2  0.2601  0.7268  0.3845  1.0
]