data_[Nd12Zn2Ir4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2904]
_cell_length_b [12.6608]
_cell_length_c [8.1416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6ZnIr2Br3]
_chemical_formula_sum '[Nd12 Zn2 Ir4 Br6]'
_cell_volume [717.0397]
_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
[
  Nd  Nd0  8  0.2424  0.8243  0.2004  1.0
  Nd  Nd1  4  0.2151  0.5000  0.2002  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3332  0.0000  1.0
  Br  Br4  4  0.0000  0.1665  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]