data_[Mg4Ga16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9337]
_cell_length_b [4.4613]
_cell_length_c [7.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgGa4Ir]
_chemical_formula_sum '[Mg4 Ga16 Ir4]'
_cell_volume [426.7544]
_cell_formula_units_Z [4]
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  0.1483  0.0000  0.7323  1.0
  Ga  Ga1  4  0.0384  0.5000  0.8512  1.0
  Ga  Ga2  4  0.0727  0.0000  0.3488  1.0
  Ga  Ga3  4  0.2028  0.5000  0.5217  1.0
  Ga  Ga4  4  0.2054  0.0000  0.0989  1.0
  Ir  Ir5  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir6  2  0.0000  0.5000  0.5000  1.0
]