data_[Ho4Sn4Pb8S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0564]
_cell_length_b [17.4075]
_cell_length_c [13.2198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoSnPb2S5]
_chemical_formula_sum '[Ho4 Sn4 Pb8 S20]'
_cell_volume [933.4643]
_cell_formula_units_Z [4]
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  0.0000  0.2177  0.0188  1.0
  Sn  Sn1  4  0.0000  0.4604  0.4495  1.0
  Pb  Pb2  4  0.0000  0.1142  0.6656  1.0
  Pb  Pb3  4  0.0000  0.1330  0.2869  1.0
  S  S4  4  0.0000  0.0585  0.0721  1.0
  S  S5  4  0.0000  0.2775  0.6606  1.0
  S  S6  4  0.0000  0.3154  0.3867  1.0
  S  S7  4  0.0000  0.3716  0.0155  1.0
  S  S8  4  0.0000  0.4843  0.7681  1.0
]