data_[Li10Mg2Sn12]
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 [C2/m]
_cell_length_a [14.8466]
_cell_length_b [7.6233]
_cell_length_c [4.7509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5MgSn6]
_chemical_formula_sum '[Li10 Mg2 Sn12]'
_cell_volume [514.3266]
_cell_formula_units_Z [2]
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  0.1615  0.0000  0.6610  1.0
  Li  Li1  4  0.1698  0.5000  0.6701  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  8  0.1684  0.2592  0.1689  1.0
  Sn  Sn5  4  0.0000  0.2627  0.5000  1.0
]