data_[La12Ag4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9563]
_cell_length_b [7.8217]
_cell_length_c [12.5654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Ag2Ir]
_chemical_formula_sum '[La12 Ag4 Ir2]'
_cell_volume [589.7940]
_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  4  0.1178  0.6957  0.9421  1
  La  La1  4  0.2737  0.1782  0.9428  1
  La  La2  4  0.3829  0.5323  0.7465  1
  Ag  Ag3  4  0.1692  0.6040  0.2337  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]