data_[Nd18Ho6Se36]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2767]
_cell_length_b [12.2767]
_cell_length_c [14.5659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd3HoSe6]
_chemical_formula_sum '[Nd18 Ho6 Se36]'
_cell_volume [1901.2036]
_cell_formula_units_Z [6]
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  18  0.0515  0.2715  0.7012  1
  Ho  Ho1  3  0.0000  0.0000  0.0000  1
  Ho  Ho2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0203  0.2081  0.8981  1
  Se  Se4  18  0.0324  0.1930  0.3793  1
]