data_[In2Bi6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [12.2489]
_cell_length_b [4.0776]
_cell_length_c [12.2593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In(BiS2)3]
_chemical_formula_sum '[In2 Bi6 S12]'
_cell_volume [603.6878]
_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
[
  In  In0  2  0.4028  0.7500  0.0614  1
  Bi  Bi1  2  0.0801  0.2500  0.1247  1
  Bi  Bi2  2  0.1357  0.7500  0.5404  1
  Bi  Bi3  2  0.4181  0.2500  0.6348  1
  S  S4  2  0.0564  0.2500  0.3836  1
  S  S5  2  0.0777  0.2500  0.9101  1
  S  S6  2  0.2248  0.2500  0.6899  1
  S  S7  2  0.2533  0.7500  0.1625  1
  S  S8  2  0.3739  0.7500  0.4949  1
  S  S9  2  0.4679  0.7500  0.8742  1
]