data_[Li4Ho4S4O4]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0838]
_cell_length_b [7.1402]
_cell_length_c [6.2884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiHoSO]
_chemical_formula_sum '[Li4 Ho4 S4 O4]'
_cell_volume [268.8817]
_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
[
  Li  Li0  4  0.4189  0.2317  0.0817  1
  Ho  Ho1  4  0.0368  0.6193  0.2332  1
  S  S2  4  0.3073  0.5983  0.6479  1
  O  O3  4  0.1300  0.1571  0.6037  1
]