data_[Ho4Mn4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0870]
_cell_length_b [18.4106]
_cell_length_c [13.1370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoMnPb2Se5]
_chemical_formula_sum '[Ho4 Mn4 Pb8 Se20]'
_cell_volume [988.4738]
_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  0.1961  0.0294  1.0
  Mn  Mn1  4  0.0000  0.4435  0.4286  1.0
  Pb  Pb2  4  0.0000  0.1129  0.3282  1.0
  Pb  Pb3  4  0.0000  0.1386  0.6737  1.0
  Se  Se4  4  0.0000  0.0372  0.0265  1.0
  Se  Se5  4  0.0000  0.2999  0.6796  1.0
  Se  Se6  4  0.0000  0.3171  0.3765  1.0
  Se  Se7  4  0.0000  0.3480  0.0135  1.0
  Se  Se8  4  0.0000  0.4963  0.7679  1.0
]