data_[Li4Mg8]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0142]
_cell_length_b [3.1516]
_cell_length_c [16.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiMg2]
_chemical_formula_sum '[Li4 Mg8]'
_cell_volume [261.9792]
_cell_formula_units_Z [4]
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  0.5000  0.0000  0.1110  1.0
  Li  Li1  2  0.5000  0.0000  0.7775  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0011  1.0
  Mg  Mg3  2  0.0000  0.0000  0.3321  1.0
  Mg  Mg4  2  0.0000  0.0000  0.6672  1.0
  Mg  Mg5  2  0.5000  0.0000  0.4445  1.0
]