data_[Tm24Bi4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [3.9447]
_cell_length_b [12.6683]
_cell_length_c [19.8583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm6BiS4]
_chemical_formula_sum '[Tm24 Bi4 S16]'
_cell_volume [992.3704]
_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  8  0.0000  0.0409  0.1575  1
  Tm  Tm1  8  0.0000  0.2286  0.5860  1
  Tm  Tm2  4  0.0000  0.3541  0.2500  1
  Tm  Tm3  4  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.0000  0.3330  0.7500  1
  S  S5  8  0.0000  0.1390  0.0377  1
  S  S6  8  0.0000  0.4072  0.1209  1
]