data_[Mn4Sb4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [Pnma]
_cell_length_a [9.5720]
_cell_length_b [3.8215]
_cell_length_c [12.3671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MnSbS2Cl]
_chemical_formula_sum '[Mn4 Sb4 S8 Cl4]'
_cell_volume [452.3806]
_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
[
  Mn  Mn0  4  0.0038  0.7500  0.2638  1.0
  Sb  Sb1  4  0.1887  0.2500  0.0366  1.0
  S  S2  4  0.0505  0.7500  0.8823  1.0
  S  S3  4  0.2462  0.7500  0.1755  1.0
  Cl  Cl4  4  0.0642  0.2500  0.3858  1.0
]