data_[Nd8Mn4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0467]
_cell_length_b [5.6674]
_cell_length_c [7.9450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2MnIr2]
_chemical_formula_sum '[Nd8 Mn4 Ir8]'
_cell_volume [437.7846]
_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
[
  Nd  Nd0  8  0.1475  0.3617  0.1490  1.0
  Mn  Mn1  4  0.0000  0.1219  0.7500  1.0
  Ir  Ir2  8  0.1331  0.1362  0.5071  1.0
]