data_[La18In6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.2870]
_cell_length_b [8.2870]
_cell_length_c [15.4313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [La3InRu]
_chemical_formula_sum '[La18 In6 Ru6]'
_cell_volume [917.7494]
_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  18  0.0321  0.4258  0.2583  1.0
  In  In1  6  0.0000  0.0000  0.2751  1.0
  Ru  Ru2  6  0.0000  0.0000  0.4684  1.0
]