data_[La16Ag4Ir4]
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/c]
_cell_length_a [9.3584]
_cell_length_b [15.2962]
_cell_length_c [7.1274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4AgIr]
_chemical_formula_sum '[La16 Ag4 Ir4]'
_cell_volume [817.8115]
_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  0.1466  0.7881  0.1354  1.0
  La  La1  8  0.2385  0.9602  0.7351  1.0
  Ag  Ag2  4  0.0000  0.3789  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0811  0.7500  1.0
]