data_[Li2Mg10Sn12]
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 [Immm]
_cell_length_a [4.6879]
_cell_length_b [8.5372]
_cell_length_c [14.1480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LiMg5Sn6]
_chemical_formula_sum '[Li2 Mg10 Sn12]'
_cell_volume [566.2302]
_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  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.0000  0.3342  1.0
  Mg  Mg2  4  0.0000  0.5000  0.3334  1.0
  Mg  Mg3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  8  0.0000  0.2479  0.8352  1.0
  Sn  Sn5  4  0.0000  0.2548  0.5000  1.0
]