data_[Mg4Bi4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6728]
_cell_length_b [3.8845]
_cell_length_c [9.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgBiS2Cl]
_chemical_formula_sum '[Mg4 Bi4 S8 Cl4]'
_cell_volume [471.7511]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.2168  0.5000  0.7000  1.0
  S  S3  4  0.0741  0.0000  0.7477  1.0
  S  S4  4  0.1372  0.5000  0.4478  1.0
  Cl  Cl5  4  0.1253  0.5000  0.0630  1.0
]