data_[Nd12Zn4Ir4]
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
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.7306]
_cell_length_b [6.0653]
_cell_length_c [7.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd3ZnIr]
_chemical_formula_sum '[Nd12 Zn4 Ir4]'
_cell_volume [566.6950]
_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  4  0.0260  0.3972  0.3700  1.0
  Nd  Nd1  4  0.2013  0.1156  0.0581  1.0
  Nd  Nd2  4  0.3368  0.4018  0.4591  1.0
  Zn  Zn3  4  0.0149  0.1119  0.7235  1.0
  Ir  Ir4  4  0.1835  0.3525  0.7016  1.0
]