data_[Li1Ho2W1O6]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5346]
_cell_length_b [5.5630]
_cell_length_c [5.9118]
_cell_angle_alpha [61.9754]
_cell_angle_beta [62.9214]
_cell_angle_gamma [60.1696]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHo2WO6]
_chemical_formula_sum '[Li1 Ho2 W1 O6]'
_cell_volume [133.4301]
_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  0.7861  0.7829  0.6505  1.0
  Ho  Ho1  1  0.0271  0.0127  0.9341  1.0
  Ho  Ho2  1  0.5319  0.5320  0.4176  1.0
  W  W3  1  0.3234  0.3228  0.0317  1.0
  O  O4  1  0.1248  0.4207  0.7712  1.0
  O  O5  1  0.2211  0.9601  0.2327  1.0
  O  O6  1  0.4248  0.6947  0.7562  1.0
  O  O7  1  0.5760  0.2358  0.2220  1.0
  O  O8  1  0.6881  0.1175  0.7668  1.0
  O  O9  1  0.9583  0.5826  0.2324  1.0
]