data_[Tm4Sb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1451]
_cell_length_b [4.3332]
_cell_length_c [14.6673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmSbTe3]
_chemical_formula_sum '[Tm4 Sb4 Te12]'
_cell_volume [708.3470]
_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  0.1570  0.7500  0.4699  1.0
  Sb  Sb1  4  0.0493  0.7500  0.8595  1.0
  Te  Te2  4  0.0169  0.2500  0.3742  1.0
  Te  Te3  4  0.1612  0.7500  0.0402  1.0
  Te  Te4  4  0.2015  0.2500  0.7915  1.0
]