data_[Ta4Ga1Ru5]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1744]
_cell_length_b [3.1744]
_cell_length_c [15.5090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ta4GaRu5]
_chemical_formula_sum '[Ta4 Ga1 Ru5]'
_cell_volume [156.2771]
_cell_formula_units_Z [1]
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  0.1931  1.0
  Ta  Ta1  2  0.0000  0.0000  0.3987  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  2  0.5000  0.5000  0.0964  1.0
  Ru  Ru4  2  0.5000  0.5000  0.2962  1.0
  Ru  Ru5  1  0.5000  0.5000  0.5000  1.0
]