data_[Li4Ho4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1875]
_cell_length_b [16.9374]
_cell_length_c [6.3526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiHoCl4]
_chemical_formula_sum '[Li4 Ho4 Cl16]'
_cell_volume [682.7537]
_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  0.0000  0.3654  0.7500  1
  Ho  Ho1  4  0.0000  0.1713  0.2500  1
  Cl  Cl2  8  0.2089  0.2962  0.2239  1
  Cl  Cl3  8  0.2251  0.0768  0.2220  1
]