data_[Li36Mg18Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6097]
_cell_length_b [10.6097]
_cell_length_c [12.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Mg6Sn]
_chemical_formula_sum '[Li36 Mg18 Sn3]'
_cell_volume [1194.7695]
_cell_formula_units_Z [3]
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  18  0.0416  0.1808  0.8127  1.0
  Li  Li1  18  0.0579  0.8566  0.4080  1.0
  Mg  Mg2  18  0.0218  0.4269  0.7078  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]