data_[Tm10B2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.4551]
_cell_length_b [9.4551]
_cell_length_c [5.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tm5BTe4]
_chemical_formula_sum '[Tm10 B2 Te8]'
_cell_volume [531.0521]
_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  8  0.0917  0.2490  0.0024  1.0
  Tm  Tm1  2  0.0000  0.0000  0.4731  1.0
  B  B2  2  0.0000  0.0000  0.0201  1.0
  Te  Te3  8  0.0870  0.3106  0.5019  1.0
]