data_[Tm4Ag4Bi8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0018]
_cell_length_b [18.8010]
_cell_length_c [13.0064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TmAgBi2S5]
_chemical_formula_sum '[Tm4 Ag4 Bi8 S20]'
_cell_volume [978.5662]
_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
[
  Tm  Tm0  4  0.0000  0.2030  0.0108  1.0
  Ag  Ag1  4  0.0000  0.4335  0.4421  1.0
  Bi  Bi2  4  0.0000  0.0881  0.2522  1.0
  Bi  Bi3  4  0.0000  0.1618  0.6958  1.0
  S  S4  4  0.0000  0.0627  0.0585  1.0
  S  S5  4  0.0000  0.2980  0.6609  1.0
  S  S6  4  0.0000  0.2981  0.3723  1.0
  S  S7  4  0.0000  0.3453  0.0568  1.0
  S  S8  4  0.0000  0.4952  0.2745  1.0
]