data_[Nd12Ho4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5290]
_cell_length_b [4.3691]
_cell_length_c [11.0136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3HoIr2]
_chemical_formula_sum '[Nd12 Ho4 Ir8]'
_cell_volume [715.8926]
_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  0.0517  0.0000  0.2260  1.0
  Nd  Nd1  4  0.1639  0.5000  0.0188  1.0
  Nd  Nd2  4  0.2129  0.0000  0.5992  1.0
  Ho  Ho3  4  0.0726  0.5000  0.6618  1.0
  Ir  Ir4  4  0.1158  0.5000  0.4236  1.0
  Ir  Ir5  4  0.1393  0.0000  0.8324  1.0
]