data_[Tm4Cu4Bi8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  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 [3.9317]
_cell_length_b [18.5895]
_cell_length_c [12.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TmCuBi2S5]
_chemical_formula_sum '[Tm4 Cu4 Bi8 S20]'
_cell_volume [887.1244]
_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  0.2000  0.0095  1
  Cu  Cu1  4  0.0000  0.4282  0.4585  1
  Bi  Bi2  4  0.0000  0.0876  0.2676  1
  Bi  Bi3  4  0.0000  0.1507  0.6790  1
  S  S4  4  0.0000  0.0569  0.0568  1
  S  S5  4  0.0000  0.2919  0.6669  1
  S  S6  4  0.0000  0.3152  0.3638  1
  S  S7  4  0.0000  0.3469  0.0260  1
  S  S8  4  0.0000  0.4926  0.2960  1
]