data_[Tm4B1Te2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9275]
_cell_length_b [3.9588]
_cell_length_c [7.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4BTe2S]
_chemical_formula_sum '[Tm4 B1 Te2 S1]'
_cell_volume [189.6228]
_cell_formula_units_Z [1]
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  0.2580  0.5000  0.2021  1.0
  Tm  Tm1  2  0.2860  0.0000  0.8011  1.0
  B  B2  1  0.5000  0.5000  0.0000  1.0
  Te  Te3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  1  0.5000  0.0000  0.5000  1.0
  S  S5  1  0.0000  0.0000  0.0000  1.0
]