data_[La27Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9421]
_cell_length_b [8.9421]
_cell_length_c [17.4629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La3Ir2]
_chemical_formula_sum '[La27 Ir18]'
_cell_volume [1209.2937]
_cell_formula_units_Z [9]
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  0.0114  0.2654  0.5931  1.0
  La  La1  6  0.0000  0.0000  0.1976  1.0
  La  La2  3  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  18  0.0173  0.6184  0.5718  1.0
]