data_[Nd10Zr2Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6564]
_cell_length_b [4.6476]
_cell_length_c [7.1568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ZrIr4]
_chemical_formula_sum '[Nd10 Zr2 Ir8]'
_cell_volume [513.0694]
_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  4  0.1643  0.0000  0.0477  1.0
  Nd  Nd1  4  0.1663  0.0000  0.5473  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  4  0.0031  0.0000  0.7780  1.0
  Ir  Ir5  4  0.1480  0.5000  0.2788  1.0
]