data_[Ti16Zn2Ga10]
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 [I-4]
_cell_length_a [7.7797]
_cell_length_b [7.7797]
_cell_length_c [7.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ti8ZnGa5]
_chemical_formula_sum '[Ti16 Zn2 Ga10]'
_cell_volume [472.0904]
_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
[
  Ti  Ti0  8  0.0723  0.1749  0.2011  1
  Ti  Ti1  8  0.0761  0.3223  0.5546  1
  Zn  Zn2  2  0.0000  0.5000  0.2500  1
  Ga  Ga3  8  0.1257  0.2508  0.8779  1
  Ga  Ga4  2  0.0000  0.0000  0.5000  1
]