data_[Ho16Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2493]
_cell_length_b [3.7646]
_cell_length_c [12.7791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Se3]
_chemical_formula_sum '[Ho16 Se6]'
_cell_volume [592.1115]
_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  4  0.0380  0.5000  0.6644  1
  Ho  Ho1  4  0.1287  0.5000  0.9482  1
  Ho  Ho2  4  0.1401  0.0000  0.2358  1
  Ho  Ho3  4  0.1578  0.0000  0.5224  1
  Se  Se4  4  0.2115  0.0000  0.8203  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
]