data_[Ta10Ti4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.5849]
_cell_length_b [13.0138]
_cell_length_c [3.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ta5Ti2Ru]
_chemical_formula_sum '[Ta10 Ti4 Ru2]'
_cell_volume [275.6932]
_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  0.0082  0.2442  0.0000  1
  Ta  Ta1  4  0.2457  0.3773  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
  Ti  Ti3  4  0.2301  0.6189  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
]