data_[Mg8P8Ir4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.6942]
_cell_length_b [11.9358]
_cell_length_c [5.6879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg2P2IrRu]
_chemical_formula_sum '[Mg8 P8 Ir4 Ru4]'
_cell_volume [386.5769]
_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  8  0.2457  0.1672  0.0000  1.0
  P  P1  8  0.2387  0.6133  0.5000  1.0
  Ir  Ir2  4  0.0000  0.0000  0.2500  1.0
  Ru  Ru3  4  0.0000  0.5000  0.2500  1.0
]