data_[Ti20Ga8Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7582]
_cell_length_b [6.7582]
_cell_length_c [11.2877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ti5Ga2Si]
_chemical_formula_sum '[Ti20 Ga8 Si4]'
_cell_volume [515.5385]
_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  16  0.1600  0.3400  0.6583  1
  Ti  Ti1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1364  0.3636  0.0000  1
  Si  Si3  4  0.0000  0.0000  0.2500  1
]