data_[Hf10Mg2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3949]
_cell_length_b [7.1236]
_cell_length_c [13.2008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf5MgIr6]
_chemical_formula_sum '[Hf10 Mg2 Ir12]'
_cell_volume [413.2840]
_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
[
  Hf  Hf0  4  0.0000  0.0000  0.3316  1
  Hf  Hf1  4  0.0000  0.5000  0.3399  1
  Hf  Hf2  2  0.0000  0.5000  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  8  0.0000  0.2505  0.1678  1
  Ir  Ir5  4  0.0000  0.2460  0.5000  1
]