data_[Ta12Ga10]
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 [P6_3/mmc]
_cell_length_a [8.9404]
_cell_length_b [8.9404]
_cell_length_c [5.4713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ta6Ga5]
_chemical_formula_sum '[Ta12 Ga10]'
_cell_volume [378.7375]
_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  6  0.0000  0.5000  0.0000  1
  Ta  Ta1  6  0.1532  0.3063  0.2500  1
  Ga  Ga2  6  0.2056  0.4112  0.7500  1
  Ga  Ga3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  2  0.3333  0.6667  0.2500  1
]