data_[Tb4Nd2Mg6Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0956]
_cell_length_b [12.6848]
_cell_length_c [7.3028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb2Nd(MgIr)3]
_chemical_formula_sum '[Tb4 Nd2 Mg6 Ir6]'
_cell_volume [379.3998]
_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
[
  Tb  Tb0  4  0.0000  0.2042  0.7960  1
  Nd  Nd1  2  0.0000  0.0000  0.4121  1
  Mg  Mg2  4  0.5000  0.1224  0.1204  1
  Mg  Mg3  2  0.5000  0.0000  0.7575  1
  Ir  Ir4  4  0.5000  0.1701  0.5010  1
  Ir  Ir5  2  0.0000  0.0000  0.9956  1
]