data_[Ho12Tl2Pb4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3781]
_cell_length_b [3.9825]
_cell_length_c [9.0653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6TlPb2Se3]
_chemical_formula_sum '[Ho12 Tl2 Pb4 Se6]'
_cell_volume [641.0699]
_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  0.0117  0.0000  0.7300  1.0
  Ho  Ho1  4  0.1637  0.5000  0.5884  1.0
  Ho  Ho2  4  0.1723  0.5000  0.0517  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  4  0.1570  0.0000  0.3083  1.0
  Se  Se5  4  0.1694  0.0000  0.8223  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]