data_[La4Ge2Ir2]
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 [P2_1/m]
_cell_length_a [6.1180]
_cell_length_b [4.2548]
_cell_length_c [8.5563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2GeIr]
_chemical_formula_sum '[La4 Ge2 Ir2]'
_cell_volume [209.0246]
_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  0.2230  0.2500  0.4474  1.0
  La  La1  2  0.3160  0.7500  0.0915  1.0
  Ge  Ge2  2  0.1401  0.2500  0.7933  1.0
  Ir  Ir3  2  0.3651  0.7500  0.7102  1.0
]