data_[Li2Ta1Nb1Si2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2697]
_cell_length_b [4.2697]
_cell_length_c [6.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2TaNb(SiRu)2]
_chemical_formula_sum '[Li2 Ta1 Nb1 Si2 Ru2]'
_cell_volume [110.0766]
_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
[
  Li  Li0  2  0.0000  0.5000  0.7503  1
  Ta  Ta1  1  0.5000  0.5000  0.5000  1
  Nb  Nb2  1  0.0000  0.0000  0.0000  1
  Si  Si3  1  0.0000  0.0000  0.5000  1
  Si  Si4  1  0.5000  0.5000  0.0000  1
  Ru  Ru5  2  0.0000  0.5000  0.2509  1
]