data_[La9Mg3Ir24]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4284]
_cell_length_b [5.4284]
_cell_length_c [26.5224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La3MgIr8]
_chemical_formula_sum '[La9 Mg3 Ir24]'
_cell_volume [676.8324]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0030  1.0
  La  La1  3  0.0000  0.0000  0.4977  1.0
  La  La2  3  0.0000  0.0000  0.6243  1.0
  Mg  Mg3  3  0.0000  0.0000  0.1265  1.0
  Ir  Ir4  9  0.0009  0.5005  0.0640  1.0
  Ir  Ir5  9  0.1678  0.3355  0.8940  1.0
  Ir  Ir6  3  0.0000  0.0000  0.3124  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8121  1.0
]