data_[Li2Mg10Bi12]
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 [C2/m]
_cell_length_a [9.4962]
_cell_length_b [12.1930]
_cell_length_c [7.1374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMg5Bi6]
_chemical_formula_sum '[Li2 Mg10 Bi12]'
_cell_volume [767.5977]
_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  0.0000  1
  Mg  Mg1  4  0.0000  0.3046  0.0000  1
  Mg  Mg2  4  0.0000  0.3657  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Bi  Bi4  8  0.1563  0.1620  0.3433  1
  Bi  Bi5  4  0.1481  0.5000  0.8934  1
]