data_[Ho18Cr6Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5388]
_cell_length_b [11.5388]
_cell_length_c [13.9199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho3CrSe6]
_chemical_formula_sum '[Ho18 Cr6 Se36]'
_cell_volume [1605.0442]
_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
[
  Ho  Ho0  18  0.0529  0.7805  0.7017  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  3  0.0000  0.0000  0.5000  1.0
  Se  Se3  18  0.0170  0.8207  0.8989  1.0
  Se  Se4  18  0.0330  0.8444  0.3871  1.0
]