data_[Li2Mg12Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1176]
_cell_length_b [6.4897]
_cell_length_c [11.1758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiMg6Bi]
_chemical_formula_sum '[Li2 Mg12 Bi2]'
_cell_volume [371.1657]
_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  0.1637  1.0
  Mg  Mg1  4  0.0000  0.2409  0.9212  1.0
  Mg  Mg2  4  0.5000  0.2494  0.0838  1.0
  Mg  Mg3  2  0.0000  0.0000  0.6651  1.0
  Mg  Mg4  2  0.5000  0.0000  0.8326  1.0
  Bi  Bi5  2  0.5000  0.0000  0.3284  1.0
]