data_[La12Ga6Ru2]
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 [P2_1/c]
_cell_length_a [5.5159]
_cell_length_b [9.0760]
_cell_length_c [12.6442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Ga3Ru]
_chemical_formula_sum '[La12 Ga6 Ru2]'
_cell_volume [574.2395]
_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
[
  La  La0  4  0.0349  0.6848  0.0532  1.0
  La  La1  4  0.2703  0.0091  0.2430  1.0
  La  La2  4  0.3962  0.6528  0.4311  1.0
  Ga  Ga3  4  0.2190  0.1510  0.7441  1.0
  Ga  Ga4  2  0.5000  0.0000  0.5000  1.0
  Ru  Ru5  2  0.0000  0.0000  0.0000  1.0
]