data_[Tm10Te10S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8495]
_cell_length_b [4.1242]
_cell_length_c [12.3223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm5Te5S2]
_chemical_formula_sum '[Tm10 Te10 S4]'
_cell_volume [677.7331]
_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  0.1050  0.0000  0.3978  1
  Tm  Tm1  4  0.1752  0.5000  0.8023  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.1646  0.5000  0.0542  1
  Te  Te4  4  0.2476  0.0000  0.6430  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.0399  0.0000  0.7939  1
]