data_[Ta2Sb2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4405]
_cell_length_b [3.2539]
_cell_length_c [4.5258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaSbRu2]
_chemical_formula_sum '[Ta2 Sb2 Ru4]'
_cell_volume [134.7337]
_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  2  0.2571  0.0000  0.8149  1
  Sb  Sb1  2  0.4970  0.0000  0.4427  1
  Ru  Ru2  2  0.2607  0.5000  0.3157  1
  Ru  Ru3  2  0.4852  0.5000  0.9267  1
]