data_[Li4Co4Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5451]
_cell_length_b [6.7180]
_cell_length_c [9.6644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCoSn5]
_chemical_formula_sum '[Li4 Co4 Sn20]'
_cell_volume [685.0915]
_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  0.3909  0.7500  1.0
  Co  Co1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.1165  0.3478  0.5361  1.0
  Sn  Sn3  8  0.2307  0.0993  0.1088  1.0
  Sn  Sn4  4  0.0000  0.0460  0.2500  1.0
]