data_[Ho2Ag4Ge2Se8]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.9459]
_cell_length_b [7.9994]
_cell_length_c [7.1049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HoAg2GeSe4]
_chemical_formula_sum '[Ho2 Ag4 Ge2 Se8]'
_cell_volume [374.7794]
_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  0.9532  0.0000  1.0
  Ag  Ag1  2  0.0000  0.1835  0.5000  1.0
  Ag  Ag2  2  0.0000  0.4226  0.0000  1.0
  Ge  Ge3  2  0.0000  0.6616  0.5000  1.0
  Se  Se4  4  0.2294  0.6887  0.9732  1.0
  Se  Se5  4  0.2496  0.9447  0.4886  1.0
]