data_[Ho12Sn4Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  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 [18.4767]
_cell_length_b [4.2587]
_cell_length_c [8.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Sn2BiSe3]
_chemical_formula_sum '[Ho12 Sn4 Bi2 Se6]'
_cell_volume [652.4897]
_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  0.0005  0.0000  0.2619  1.0
  Ho  Ho1  4  0.1658  0.5000  0.5867  1.0
  Ho  Ho2  4  0.1710  0.5000  0.0845  1.0
  Sn  Sn3  4  0.1670  0.0000  0.3339  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1650  0.0000  0.8339  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]