data_[Li12Ho8Sn16]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2207]
_cell_length_b [15.8982]
_cell_length_c [7.9924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(HoSn2)2]
_chemical_formula_sum '[Li12 Ho8 Sn16]'
_cell_volume [790.4312]
_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  8  0.2500  0.2279  0.7500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  8  0.0000  0.1072  0.4028  1.0
  Sn  Sn3  8  0.0000  0.1784  0.0247  1.0
  Sn  Sn4  8  0.2500  0.0548  0.7500  1.0
]