data_[Ho4In4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  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 [4.0046]
_cell_length_b [17.7369]
_cell_length_c [12.9782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoInPb2S5]
_chemical_formula_sum '[Ho4 In4 Pb8 S20]'
_cell_volume [921.8174]
_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  0.2062  0.0223  1.0
  In  In1  4  0.0000  0.4536  0.4374  1.0
  Pb  Pb2  4  0.0000  0.1273  0.6652  1.0
  Pb  Pb3  4  0.0000  0.1310  0.3128  1.0
  S  S4  4  0.0000  0.0466  0.0527  1.0
  S  S5  4  0.0000  0.2886  0.6666  1.0
  S  S6  4  0.0000  0.3148  0.3805  1.0
  S  S7  4  0.0000  0.3575  0.0134  1.0
  S  S8  4  0.0000  0.4817  0.7730  1.0
]