data_[Li6Mg2Bi2]
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 [P2_1/m]
_cell_length_a [5.5297]
_cell_length_b [4.9017]
_cell_length_c [8.1217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3MgBi]
_chemical_formula_sum '[Li6 Mg2 Bi2]'
_cell_volume [207.6515]
_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  0.1611  0.7500  0.5108  1.0
  Li  Li1  2  0.2817  0.2500  0.3111  1.0
  Li  Li2  2  0.3505  0.7500  0.9006  1.0
  Mg  Mg3  2  0.0076  0.2500  0.8945  1.0
  Bi  Bi4  2  0.4066  0.2500  0.7052  1.0
]