data_[Li1Ho1Pb2S4]
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/m]
_cell_length_a [6.9198]
_cell_length_b [4.0510]
_cell_length_c [7.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiHo(PbS2)2]
_chemical_formula_sum '[Li1 Ho1 Pb2 S4]'
_cell_volume [189.2594]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.5000  1
  Pb  Pb3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2398  0.5000  0.2205  1
  S  S5  2  0.2533  0.0000  0.7755  1
]