data_[Li2Ho4Pb2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5285]
_cell_length_b [3.9888]
_cell_length_c [8.0987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiHo2PbS]
_chemical_formula_sum '[Li2 Ho4 Pb2 S2]'
_cell_volume [230.5315]
_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
[
  Li  Li0  2  0.4474  0.7500  0.3579  1.0
  Ho  Ho1  2  0.1156  0.2500  0.3857  1.0
  Ho  Ho2  2  0.2439  0.2500  0.9798  1.0
  Pb  Pb3  2  0.3278  0.7500  0.7049  1.0
  S  S4  2  0.1464  0.7500  0.1691  1.0
]