data_[Li6Mg9Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5025]
_cell_length_b [4.5025]
_cell_length_c [22.0763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2Mg3Si2]
_chemical_formula_sum '[Li6 Mg9 Si6]'
_cell_volume [387.5784]
_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  3  0.0000  0.0000  0.3693  1.0
  Li  Li1  3  0.0000  0.0000  0.7453  1.0
  Mg  Mg2  3  0.0000  0.0000  0.1270  1.0
  Mg  Mg3  3  0.0000  0.0000  0.6245  1.0
  Mg  Mg4  3  0.0000  0.0000  0.8814  1.0
  Si  Si5  3  0.0000  0.0000  0.0043  1.0
  Si  Si6  3  0.0000  0.0000  0.4982  1.0
]