data_[La6Ge2Ir2]
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 [P-1]
_cell_length_a [5.6145]
_cell_length_b [7.5140]
_cell_length_c [7.9672]
_cell_angle_alpha [68.2278]
_cell_angle_beta [79.3170]
_cell_angle_gamma [69.0510]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3GeIr]
_chemical_formula_sum '[La6 Ge2 Ir2]'
_cell_volume [290.9614]
_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  2  0.1404  0.0382  0.7702  1.0
  La  La1  2  0.1498  0.2789  0.3260  1.0
  La  La2  2  0.4505  0.3960  0.8203  1.0
  Ge  Ge3  2  0.3598  0.8048  0.4751  1.0
  Ir  Ir4  2  0.0778  0.6666  0.0281  1.0
]