data_[Ti16Ga24Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.9060]
_cell_length_b [8.4499]
_cell_length_c [14.6740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ti2Ga3Cu]
_chemical_formula_sum '[Ti16 Ga24 Cu8]'
_cell_volume [732.3070]
_cell_formula_units_Z [8]
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  8  0.2464  0.0000  0.0000  1
  Ti  Ti1  8  0.2500  0.2500  0.2500  1
  Ga  Ga2  16  0.0000  0.2441  0.4148  1
  Ga  Ga3  8  0.0000  0.0000  0.1708  1
  Cu  Cu4  8  0.0000  0.0000  0.3336  1
]