data_[Ho4Ag4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6971]
_cell_length_b [5.5861]
_cell_length_c [5.7314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HoAgSe2]
_chemical_formula_sum '[Ho4 Ag4 Se8]'
_cell_volume [399.4032]
_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  2  0.2389  0.0000  0.6937  1.0
  Ho  Ho1  2  0.4929  0.5000  0.9509  1.0
  Ag  Ag2  2  0.0377  0.5000  0.6060  1.0
  Ag  Ag3  2  0.2807  0.5000  0.3137  1.0
  Se  Se4  2  0.0078  0.0000  0.4755  1.0
  Se  Se5  2  0.2212  0.0000  0.1885  1.0
  Se  Se6  2  0.2607  0.5000  0.7685  1.0
  Se  Se7  2  0.4670  0.0000  0.9794  1.0
]