data_[Tm10B2Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3967]
_cell_length_b [9.3967]
_cell_length_c [6.0248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tm5BSb4]
_chemical_formula_sum '[Tm10 B2 Sb8]'
_cell_volume [531.9760]
_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  0.0965  0.2620  0.9985  1
  Tm  Tm1  2  0.0000  0.0000  0.5323  1
  B  B2  2  0.0000  0.0000  0.9738  1
  Sb  Sb3  8  0.0837  0.3100  0.4974  1
]