data_[Li12Ca4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8713]
_cell_length_b [4.8141]
_cell_length_c [9.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3CaSn2]
_chemical_formula_sum '[Li12 Ca4 Sn8]'
_cell_volume [534.7257]
_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  0.0458  0.0000  0.3728  1.0
  Li  Li1  4  0.0916  0.5000  0.6841  1.0
  Li  Li2  4  0.2295  0.5000  0.5563  1.0
  Ca  Ca3  4  0.1397  0.0000  0.0207  1.0
  Sn  Sn4  4  0.0563  0.5000  0.1926  1.0
  Sn  Sn5  4  0.2044  0.0000  0.7186  1.0
]