data_[La12Mg4Co2Ir2]
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
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.6298]
_cell_length_b [7.6298]
_cell_length_c [11.4313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La6Mg2CoIr]
_chemical_formula_sum '[La12 Mg4 Co2 Ir2]'
_cell_volume [665.4525]
_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  8  0.1944  0.2895  0.0000  1.0
  La  La1  4  0.0000  0.0000  0.2521  1.0
  Mg  Mg2  4  0.0000  0.5000  0.2500  1.0
  Co  Co3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  2  0.0000  0.0000  0.5000  1.0
]