data_[Li12Mg2Si4]
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 [Pnnm]
_cell_length_a [7.8034]
_cell_length_b [7.9142]
_cell_length_c [4.3339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li6MgSi2]
_chemical_formula_sum '[Li12 Mg2 Si4]'
_cell_volume [267.6512]
_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  0.0209  0.8256  0.0000  1.0
  Li  Li1  4  0.1594  0.9330  0.5000  1.0
  Li  Li2  4  0.1903  0.6164  0.5000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1483  0.2755  0.5000  1.0
]