data_[Ti12Zn8Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0202]
_cell_length_b [9.6763]
_cell_length_c [13.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti3Zn2Ga3]
_chemical_formula_sum '[Ti12 Zn8 Ga12]'
_cell_volume [511.0556]
_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  8  0.0000  0.0757  0.6131  1
  Ti  Ti1  4  0.0000  0.3331  0.7500  1
  Zn  Zn2  8  0.0000  0.2165  0.1109  1
  Ga  Ga3  8  0.0000  0.3879  0.5447  1
  Ga  Ga4  4  0.0000  0.3913  0.2500  1
]