data_[Ta2Ti12Ga10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5935]
_cell_length_b [6.0315]
_cell_length_c [13.9294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TaTi6Ga5]
_chemical_formula_sum '[Ta2 Ti12 Ga10]'
_cell_volume [385.9243]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  8  0.0000  0.2538  0.1702  1
  Ti  Ti2  4  0.0000  0.2348  0.5000  1
  Ga  Ga3  4  0.0000  0.0000  0.3321  1
  Ga  Ga4  4  0.0000  0.5000  0.3474  1
  Ga  Ga5  2  0.0000  0.5000  0.0000  1
]