data_[Ta4V2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.4624]
_cell_length_b [3.0067]
_cell_length_c [4.5022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ta2VRu3]
_chemical_formula_sum '[Ta4 V2 Ru6]'
_cell_volume [182.2373]
_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  4  0.0800  0.0000  0.2976  1
  V  V1  2  0.2500  0.0000  0.8052  1
  Ru  Ru2  4  0.0978  0.5000  0.8106  1
  Ru  Ru3  2  0.2500  0.5000  0.3191  1
]