data_[Ba2La6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9396]
_cell_length_b [4.2155]
_cell_length_c [13.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaLa3Ir]
_chemical_formula_sum '[Ba2 La6 Ir2]'
_cell_volume [388.6626]
_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
[
  Ba  Ba0  1  0.4841  0.0000  0.8122  1.0
  Ba  Ba1  1  0.7422  0.5000  0.0713  1.0
  La  La2  1  0.0936  0.0000  0.5467  1.0
  La  La3  1  0.1996  0.5000  0.3034  1.0
  La  La4  1  0.2393  0.0000  0.0775  1.0
  La  La5  1  0.6339  0.5000  0.5636  1.0
  La  La6  1  0.6807  0.0000  0.3096  1.0
  La  La7  1  0.9970  0.5000  0.8141  1.0
  Ir  Ir8  1  0.8287  0.0000  0.6903  1.0
  Ir  Ir9  1  0.8975  0.5000  0.4181  1.0
]