data_[Tm12Cu4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1971]
_cell_length_b [4.0107]
_cell_length_c [8.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3CuSb]
_chemical_formula_sum '[Tm12 Cu4 Sb4]'
_cell_volume [508.7892]
_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  0.0434  0.0000  0.2043  1.0
  Tm  Tm1  4  0.1045  0.5000  0.5493  1.0
  Tm  Tm2  4  0.2478  0.5000  0.2022  1.0
  Cu  Cu3  4  0.2087  0.0000  0.4350  1.0
  Sb  Sb4  4  0.1106  0.5000  0.9282  1.0
]