data_[Tm12Sb4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4184]
_cell_length_b [7.6860]
_cell_length_c [11.5580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Sb2S]
_chemical_formula_sum '[Tm12 Sb4 S2]'
_cell_volume [481.1912]
_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
[
  Tm  Tm0  4  0.1019  0.1871  0.4558  1.0
  Tm  Tm1  4  0.3113  0.6775  0.4533  1.0
  Tm  Tm2  4  0.3701  0.0239  0.2364  1.0
  Sb  Sb3  4  0.1645  0.1195  0.7455  1.0
  S  S4  2  0.5000  0.0000  0.5000  1.0
]