data_[Tm8Sc4Te8]
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 [Cmc2_1]
_cell_length_a [4.0053]
_cell_length_b [18.0074]
_cell_length_c [7.5140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm2ScTe2]
_chemical_formula_sum '[Tm8 Sc4 Te8]'
_cell_volume [541.9417]
_cell_formula_units_Z [4]
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  0.0000  0.0240  0.7249  1
  Tm  Tm1  4  0.0000  0.1889  0.0709  1
  Sc  Sc2  4  0.0000  0.3879  0.9061  1
  Te  Te3  4  0.0000  0.1869  0.6505  1
  Te  Te4  4  0.0000  0.4379  0.5132  1
]