data_[Ho12Si4Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9426]
_cell_length_b [4.0966]
_cell_length_c [8.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Si2GeSe3]
_chemical_formula_sum '[Ho12 Si4 Ge2 Se6]'
_cell_volume [587.5011]
_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  0.0033  0.0000  0.2435  1
  Ho  Ho1  4  0.1644  0.5000  0.0923  1
  Ho  Ho2  4  0.1699  0.5000  0.5749  1
  Si  Si3  4  0.1667  0.0000  0.3333  1
  Ge  Ge4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1665  0.0000  0.8332  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]