data_[Ti10In4Ni4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.4446]
_cell_length_b [10.4446]
_cell_length_c [3.0481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ti5In2Ni2Ru]
_chemical_formula_sum '[Ti10 In4 Ni4 Ru2]'
_cell_volume [332.5138]
_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
[
  Ti  Ti0  8  0.0605  0.8042  0.5000  1
  Ti  Ti1  2  0.0000  0.5000  0.5000  1
  In  In2  4  0.1772  0.3228  0.0000  1
  Ni  Ni3  4  0.1292  0.6292  0.0000  1
  Ru  Ru4  2  0.0000  0.0000  0.0000  1
]