data_[Ho12Sn4Pb2Se6]
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
  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 [18.5589]
_cell_length_b [4.2308]
_cell_length_c [8.5180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Sn2PbSe3]
_chemical_formula_sum '[Ho12 Sn4 Pb2 Se6]'
_cell_volume [647.1332]
_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  0.0023  0.0000  0.7421  1
  Ho  Ho1  4  0.1656  0.5000  0.5856  1
  Ho  Ho2  4  0.1702  0.5000  0.0804  1
  Sn  Sn3  4  0.1660  0.0000  0.3318  1
  Pb  Pb4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1666  0.0000  0.8323  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]