data_[K4Tm4Bi2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8555]
_cell_length_b [11.9337]
_cell_length_c [7.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tm2BiS6]
_chemical_formula_sum '[K4 Tm4 Bi2 S12]'
_cell_volume [622.1662]
_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
[
  K  K0  4  0.0000  0.1653  0.0000  1.0
  Tm  Tm1  4  0.0000  0.3331  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2330  0.1700  0.6968  1.0
  S  S4  4  0.2272  0.5000  0.6972  1.0
]