data_[Tm2S4Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1041]
_cell_length_b [7.4127]
_cell_length_c [7.7641]
_cell_angle_alpha [114.7578]
_cell_angle_beta [90.9404]
_cell_angle_gamma [117.0682]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmS2BrCl]
_chemical_formula_sum '[Tm2 S4 Br2 Cl2]'
_cell_volume [319.5995]
_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  2  0.1638  0.3375  0.9999  1
  S  S1  2  0.0483  0.1428  0.2514  1
  S  S2  2  0.2169  0.9651  0.9426  1
  Br  Br3  2  0.4157  0.3934  0.7367  1
  Cl  Cl4  2  0.1165  0.6760  0.2437  1
]