data_[Y4Ta2Ga4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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/mbm]
_cell_length_a [10.1119]
_cell_length_b [10.1119]
_cell_length_c [3.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Y2TaGa2Ru5]
_chemical_formula_sum '[Y4 Ta2 Ga4 Ru10]'
_cell_volume [344.0618]
_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
[
  Y  Y0  4  0.1713  0.6713  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1276  0.3724  0.0000  1.0
  Ru  Ru3  8  0.0659  0.1977  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]