data_[Ta4Al4Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6507]
_cell_length_b [11.4095]
_cell_length_c [5.3981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TaAlGa4]
_chemical_formula_sum '[Ta4 Al4 Ga16]'
_cell_volume [442.7542]
_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
[
  Ta  Ta0  4  0.0000  0.0061  0.7500  1
  Al  Al1  4  0.0000  0.3932  0.2500  1
  Ga  Ga2  8  0.1148  0.1994  0.5615  1
  Ga  Ga3  8  0.1934  0.4021  0.8587  1
]