data_[La6In2Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.0043]
_cell_length_b [4.0144]
_cell_length_c [9.2202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3InIr]
_chemical_formula_sum '[La6 In2 Ir2]'
_cell_volume [313.8958]
_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  1  0.0636  0.5000  0.0671  1
  La  La1  1  0.2368  0.5000  0.7111  1
  La  La2  1  0.4585  0.5000  0.1661  1
  La  La3  1  0.6383  0.5000  0.5652  1
  La  La4  1  0.6387  0.0000  0.9191  1
  La  La5  1  0.8982  0.0000  0.3638  1
  In  In6  1  0.3077  0.0000  0.4081  1
  In  In7  1  0.9378  0.0000  0.7458  1
  Ir  Ir8  1  0.2733  0.0000  0.9462  1
  Ir  Ir9  1  0.7743  0.5000  0.1422  1
]