data_[La16Ge4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8491]
_cell_length_b [4.6613]
_cell_length_c [7.7853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ge2Ir]
_chemical_formula_sum '[La16 Ge4 Ir2]'
_cell_volume [674.4603]
_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  0.0091  0.0000  0.7804  1.0
  La  La1  4  0.0957  0.5000  0.4953  1.0
  La  La2  4  0.1538  0.5000  0.0083  1.0
  La  La3  4  0.2150  0.0000  0.3524  1.0
  Ge  Ge4  4  0.1815  0.0000  0.7453  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]