data_[Mg14Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.8130]
_cell_length_b [8.8130]
_cell_length_c [5.4991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Mg7Ir3]
_chemical_formula_sum '[Mg14 Ir6]'
_cell_volume [369.8915]
_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
[
  Mg  Mg0  6  0.0472  0.5236  0.1672  1
  Mg  Mg1  6  0.1252  0.2504  0.4076  1
  Mg  Mg2  2  0.3333  0.6667  0.5709  1
  Ir  Ir3  6  0.2013  0.4025  0.8709  1
]