data_[Ho16Ru4Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8410]
_cell_length_b [8.3636]
_cell_length_c [11.4262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ho4RuSe2S]
_chemical_formula_sum '[Ho16 Ru4 Se8 S4]'
_cell_volume [749.3110]
_cell_formula_units_Z [4]
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  8  0.0000  0.0171  0.7461  1
  Ho  Ho1  8  0.2422  0.2500  0.5170  1
  Ru  Ru2  4  0.2500  0.2500  0.7500  1
  Se  Se3  4  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.2500  0.2500  0.2500  1
  S  S5  4  0.0000  0.0000  0.5000  1
]