data_[Tm10Sc10Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.0291]
_cell_length_b [14.9425]
_cell_length_c [8.7162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tm5Sc5Sb6]
_chemical_formula_sum '[Tm10 Sc10 Sb12]'
_cell_volume [785.2411]
_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  4  0.0000  0.1218  0.1222  1
  Tm  Tm1  4  0.5000  0.1209  0.8789  1
  Tm  Tm2  2  0.5000  0.0000  0.2475  1
  Sc  Sc3  8  0.2496  0.1674  0.4998  1
  Sc  Sc4  2  0.0000  0.0000  0.7493  1
  Sb  Sb5  4  0.0000  0.1938  0.8018  1
  Sb  Sb6  4  0.5000  0.1977  0.1975  1
  Sb  Sb7  2  0.0000  0.0000  0.3970  1
  Sb  Sb8  2  0.5000  0.0000  0.6062  1
]