data_[La2Mg2Zn4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9771]
_cell_length_b [4.1560]
_cell_length_c [12.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LaMgZn2Ir]
_chemical_formula_sum '[La2 Mg2 Zn4 Ir2]'
_cell_volume [207.0476]
_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  0.0000  0.0000  0.4199  1.0
  Mg  Mg1  2  0.0000  0.5000  0.1952  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0501  1.0
  Zn  Zn3  2  0.0000  0.5000  0.7004  1.0
  Ir  Ir4  2  0.0000  0.0000  0.8465  1.0
]