data_[Ta4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8358]
_cell_length_b [13.1452]
_cell_length_c [3.8733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TaGa2]
_chemical_formula_sum '[Ta4 Ga8]'
_cell_volume [195.3019]
_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  0.3559  0.0000  1.0
  Ga  Ga1  4  0.0000  0.1839  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  2  0.0000  0.5000  0.5000  1.0
]