data_[Nd6Y3Ho3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3479]
_cell_length_b [7.3479]
_cell_length_c [19.5584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nd2YHoSe6]
_chemical_formula_sum '[Nd6 Y3 Ho3 Se18]'
_cell_volume [914.5129]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4808  1.0
  Nd  Nd1  3  0.0000  0.0000  0.9807  1.0
  Y  Y2  3  0.0000  0.0000  0.6814  1.0
  Ho  Ho3  3  0.0000  0.0000  0.1812  1.0
  Se  Se4  9  0.0416  0.6867  0.2522  1.0
  Se  Se5  9  0.0426  0.3569  0.7527  1.0
]