data_[Mn2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8949]
_cell_length_b [2.7367]
_cell_length_c [6.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnIr5]
_chemical_formula_sum '[Mn2 Ir10]'
_cell_volume [168.0786]
_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  0.2778  0.0000  0.0532  1.0
  Ir  Ir1  2  0.1159  0.5000  0.7337  1.0
  Ir  Ir2  2  0.1683  0.5000  0.3256  1.0
  Ir  Ir3  2  0.3339  0.0000  0.6704  1.0
  Ir  Ir4  2  0.4409  0.5000  0.3813  1.0
  Ir  Ir5  2  0.4966  0.5000  0.0024  1.0
]