data_[Mn12Co3Sb12Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2778]
_cell_length_b [4.2778]
_cell_length_c [41.7256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn4CoSb4Ir3]
_chemical_formula_sum '[Mn12 Co3 Sb12 Ir9]'
_cell_volume [661.2745]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1263  1.0
  Mn  Mn1  3  0.0000  0.0000  0.3740  1.0
  Mn  Mn2  3  0.0000  0.0000  0.6225  1.0
  Mn  Mn3  3  0.0000  0.0000  0.8781  1.0
  Co  Co4  3  0.0000  0.0000  0.9352  1.0
  Sb  Sb5  3  0.0000  0.0000  0.2536  1.0
  Sb  Sb6  3  0.0000  0.0000  0.5014  1.0
  Sb  Sb7  3  0.0000  0.0000  0.7494  1.0
  Sb  Sb8  3  0.0000  0.0000  0.9956  1.0
  Ir  Ir9  3  0.0000  0.0000  0.1902  1.0
  Ir  Ir10  3  0.0000  0.0000  0.4377  1.0
  Ir  Ir11  3  0.0000  0.0000  0.6862  1.0
]