data_[La12Ag2Ir4]
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 [C2/m]
_cell_length_a [13.3638]
_cell_length_b [5.6510]
_cell_length_c [9.5803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6AgIr2]
_chemical_formula_sum '[La12 Ag2 Ir4]'
_cell_volume [625.9008]
_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  0.0157  0.0000  0.2007  1
  La  La1  4  0.1499  0.5000  0.5513  1
  La  La2  4  0.2055  0.5000  0.1090  1
  Ag  Ag3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  4  0.1881  0.0000  0.1098  1
]