data_[Ti12Ga6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6058]
_cell_length_b [4.5516]
_cell_length_c [9.6425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti6Ga3Ru]
_chemical_formula_sum '[Ti12 Ga6 Ru2]'
_cell_volume [315.3131]
_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  2  0.0628  0.7500  0.8819  1
  Ti  Ti1  2  0.1444  0.2500  0.6999  1
  Ti  Ti2  2  0.1550  0.7500  0.1894  1
  Ti  Ti3  2  0.2405  0.7500  0.4908  1
  Ti  Ti4  2  0.3422  0.2500  0.3117  1
  Ti  Ti5  2  0.4570  0.7500  0.0887  1
  Ga  Ga6  2  0.2268  0.2500  0.0163  1
  Ga  Ga7  2  0.3571  0.7500  0.7870  1
  Ga  Ga8  2  0.4573  0.2500  0.6128  1
  Ru  Ru9  2  0.0494  0.2500  0.4033  1
]