data_[Ta5Mo4Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2220]
_cell_length_b [3.2220]
_cell_length_c [16.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ta5Mo4Ru]
_chemical_formula_sum '[Ta5 Mo4 Ru1]'
_cell_volume [167.2683]
_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
[
  Ta  Ta0  2  0.5000  0.5000  0.0998  1.0
  Ta  Ta1  2  0.5000  0.5000  0.2983  1.0
  Ta  Ta2  1  0.5000  0.5000  0.5000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.1980  1.0
  Mo  Mo4  2  0.0000  0.0000  0.3998  1.0
  Ru  Ru5  1  0.0000  0.0000  0.0000  1.0
]