data_[La12Ag8Ir4]
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 [Cmmm]
_cell_length_a [5.2295]
_cell_length_b [15.6470]
_cell_length_c [7.6787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3Ag2Ir]
_chemical_formula_sum '[La12 Ag8 Ir4]'
_cell_volume [628.3166]
_cell_formula_units_Z [4]
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  8  0.0000  0.1793  0.2225  1
  La  La1  4  0.0000  0.5000  0.2371  1
  Ag  Ag2  4  0.0000  0.3348  0.5000  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
  Ag  Ag4  2  0.0000  0.0000  0.5000  1
  Ir  Ir5  4  0.0000  0.3494  0.0000  1
]