data_[Zn4In4Bi4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7367]
_cell_length_b [7.8418]
_cell_length_c [11.0369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ZnInBiS4]
_chemical_formula_sum '[Zn4 In4 Bi4 S16]'
_cell_volume [669.6003]
_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
[
  Zn  Zn0  4  0.0000  0.2500  0.8722  1.0
  In  In1  4  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.2500  0.2500  0.2500  1.0
  S  S3  8  0.0000  0.0073  0.7414  1.0
  S  S4  8  0.2376  0.2500  0.5046  1.0
]