data_[Nd3Y3Ho6Se18]
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 [7.2636]
_cell_length_b [7.2636]
_cell_length_c [19.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdY(HoSe3)2]
_chemical_formula_sum '[Nd3 Y3 Ho6 Se18]'
_cell_volume [890.4418]
_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  0.8130  1.0
  Y  Y1  3  0.0000  0.0000  0.3177  1.0
  Ho  Ho2  3  0.0000  0.0000  0.0119  1.0
  Ho  Ho3  3  0.0000  0.0000  0.5149  1.0
  Se  Se4  9  0.0289  0.3566  0.5843  1.0
  Se  Se5  9  0.0442  0.6864  0.0838  1.0
]