data_[Li2Mg28Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.3352]
_cell_length_b [6.3185]
_cell_length_c [10.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiMg14Al]
_chemical_formula_sum '[Li2 Mg28 Al2]'
_cell_volume [710.9368]
_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  0.5000  0.0000  0.3327  1.0
  Mg  Mg1  8  0.2550  0.2480  0.9151  1.0
  Mg  Mg2  4  0.0000  0.2499  0.5831  1.0
  Mg  Mg3  4  0.2503  0.0000  0.1670  1.0
  Mg  Mg4  4  0.2534  0.0000  0.6682  1.0
  Mg  Mg5  4  0.5000  0.2476  0.0843  1.0
  Mg  Mg6  2  0.0000  0.0000  0.3338  1.0
  Mg  Mg7  2  0.0000  0.0000  0.8333  1.0
  Al  Al8  2  0.5000  0.0000  0.8344  1.0
]