data_[Tm2Sc10Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2828]
_cell_length_b [12.5553]
_cell_length_c [7.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc5Te6]
_chemical_formula_sum '[Tm2 Sc10 Te12]'
_cell_volume [625.5664]
_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  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  4  0.0000  0.1568  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3324  0.0000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2440  0.3292  0.7435  1.0
  Te  Te5  4  0.2404  0.5000  0.2468  1.0
]