data_[Ho12Ge2Sb6Se4]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4610]
_cell_length_b [4.2355]
_cell_length_c [8.4897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6GeSb3Se2]
_chemical_formula_sum '[Ho12 Ge2 Sb6 Se4]'
_cell_volume [645.6939]
_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  0.0011  0.0000  0.2353  1.0
  Ho  Ho1  4  0.1596  0.5000  0.0842  1.0
  Ho  Ho2  4  0.1676  0.5000  0.5791  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1697  0.0000  0.8329  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1675  0.0000  0.3359  1.0
]