data_[Ho6Tm2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.0431]
_cell_length_b [8.0005]
_cell_length_c [7.0325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Ho3TmSe4]
_chemical_formula_sum '[Ho6 Tm2 Se8]'
_cell_volume [374.2321]
_cell_formula_units_Z [2]
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  2  0.0000  0.3756  0.7500  1
  Ho  Ho1  2  0.5000  0.1258  0.7500  1
  Ho  Ho2  2  0.5000  0.3758  0.2500  1
  Tm  Tm3  2  0.0000  0.1258  0.2500  1
  Se  Se4  4  0.2473  0.1235  0.0002  1
  Se  Se5  4  0.2487  0.3736  0.4985  1
]