data_[Tb4Sc12Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [15.2026]
_cell_length_b [4.0223]
_cell_length_c [11.5595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSc3Te2]
_chemical_formula_sum '[Tb4 Sc12 Te8]'
_cell_volume [627.9961]
_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
[
  Tb  Tb0  4  0.1352  0.0000  0.0614  1.0
  Sc  Sc1  4  0.0417  0.0000  0.3606  1.0
  Sc  Sc2  4  0.1168  0.5000  0.5970  1.0
  Sc  Sc3  4  0.2163  0.5000  0.3881  1.0
  Te  Te4  4  0.0194  0.5000  0.1557  1.0
  Te  Te5  4  0.1916  0.0000  0.8132  1.0
]