data_[Ho12Sb6Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  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 [18.6188]
_cell_length_b [4.2703]
_cell_length_c [8.6254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Sb3PbSe2]
_chemical_formula_sum '[Ho12 Sb6 Pb2 Se4]'
_cell_volume [668.0482]
_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  0.0038  0.0000  0.2537  1.0
  Ho  Ho1  4  0.1683  0.5000  0.0882  1.0
  Ho  Ho2  4  0.1685  0.5000  0.5807  1.0
  Sb  Sb3  4  0.1654  0.0000  0.8307  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1689  0.0000  0.3382  1.0
]