data_[Mn2Al12Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2446]
_cell_length_b [12.7319]
_cell_length_c [5.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MnAl6Ir5]
_chemical_formula_sum '[Mn2 Al12 Ir10]'
_cell_volume [324.0208]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.0000  0.1633  0.2449  1
  Al  Al2  4  0.0000  0.5000  0.2432  1
  Ir  Ir3  4  0.0000  0.3317  0.5000  1
  Ir  Ir4  4  0.0000  0.3339  0.0000  1
  Ir  Ir5  2  0.0000  0.0000  0.5000  1
]