data_[Ho12Ge4Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1276]
_cell_length_b [4.1702]
_cell_length_c [8.3667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Ge2BiSe3]
_chemical_formula_sum '[Ho12 Ge4 Bi2 Se6]'
_cell_volume [617.2013]
_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  0.0065  0.0000  0.2657  1.0
  Ho  Ho1  4  0.1710  0.5000  0.5767  1.0
  Ho  Ho2  4  0.1726  0.5000  0.1028  1.0
  Ge  Ge3  4  0.1674  0.0000  0.3359  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1641  0.0000  0.8342  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]