data_[Mg6Ge8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0267]
_cell_length_b [8.1481]
_cell_length_c [14.6303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg3(GeIr)4]
_chemical_formula_sum '[Mg6 Ge8 Ir8]'
_cell_volume [360.8121]
_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  4  0.0000  0.0000  0.0987  1
  Mg  Mg1  2  0.0000  0.5000  0.0000  1
  Ge  Ge2  8  0.0000  0.2126  0.3351  1
  Ir  Ir3  4  0.0000  0.2754  0.5000  1
  Ir  Ir4  4  0.0000  0.5000  0.2390  1
]