data_[La6Ga6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6359]
_cell_length_b [12.9249]
_cell_length_c [6.8529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LaGaRu]
_chemical_formula_sum '[La6 Ga6 Ru6]'
_cell_volume [410.6151]
_cell_formula_units_Z [6]
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
[
  La  La0  4  0.0000  0.3420  0.3487  1.0
  La  La1  2  0.0000  0.0000  0.2519  1.0
  Ga  Ga2  4  0.0000  0.3186  0.8664  1.0
  Ga  Ga3  2  0.0000  0.0000  0.7248  1.0
  Ru  Ru4  4  0.0000  0.1772  0.5689  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0173  1.0
]