data_[Ti12Cu12Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.1159]
_cell_length_b [9.1159]
_cell_length_c [9.1159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Ti3Cu3Sb4]
_chemical_formula_sum '[Ti12 Cu12 Sb16]'
_cell_volume [757.5363]
_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
[
  Ti  Ti0  12  0.0000  0.2500  0.3750  1
  Cu  Cu1  12  0.0000  0.2500  0.8750  1
  Sb  Sb2  16  0.0870  0.0870  0.0870  1
]