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 [P1]
_cell_length_a [7.1427]
_cell_length_b [7.2515]
_cell_length_c [8.2553]
_cell_angle_alpha [106.6337]
_cell_angle_beta [90.6262]
_cell_angle_gamma [100.0560]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaLa3Ir]
_chemical_formula_sum '[Ba2 La6 Ir2]'
_cell_volume [402.5593]
_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  0.3065  0.9900  0.2996  1.0
  Ba  Ba1  1  0.5753  0.5094  0.2122  1.0
  La  La2  1  0.0556  0.5047  0.9372  1.0
  La  La3  1  0.0573  0.5116  0.4736  1.0
  La  La4  1  0.2999  0.0147  0.8146  1.0
  La  La5  1  0.5558  0.5218  0.7164  1.0
  La  La6  1  0.8156  0.0209  0.0676  1.0
  La  La7  1  0.8217  0.0207  0.5884  1.0
  Ir  Ir8  1  0.1892  0.2670  0.6413  1.0
  Ir  Ir9  1  0.9282  0.7701  0.7748  1.0
]