data_[Tb6Y3Ho3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [7.2238]
_cell_length_b [7.2238]
_cell_length_c [19.4913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb2YHoSe6]
_chemical_formula_sum '[Tb6 Y3 Ho3 Se18]'
_cell_volume [880.8504]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.0148  1.0
  Tb  Tb1  3  0.0000  0.0000  0.5147  1.0
  Y  Y2  3  0.0000  0.0000  0.3183  1.0
  Ho  Ho3  3  0.0000  0.0000  0.8185  1.0
  Se  Se4  9  0.0025  0.3051  0.9156  1.0
  Se  Se5  9  0.0039  0.6966  0.4160  1.0
]