data_[Tm12Te6As2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0183]
_cell_length_b [12.2595]
_cell_length_c [7.2790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Te3AsS2]
_chemical_formula_sum '[Tm12 Te6 As2 S4]'
_cell_volume [591.6538]
_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  8  0.2380  0.1695  0.2059  1.0
  Tm  Tm1  4  0.2294  0.5000  0.2042  1.0
  Te  Te2  4  0.0000  0.1649  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  As  As4  2  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.0000  0.3328  0.0000  1.0
]