data_[Mg12Sn2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8481]
_cell_length_b [6.3071]
_cell_length_c [11.8737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg6SnBi2]
_chemical_formula_sum '[Mg12 Sn2 Bi4]'
_cell_volume [474.8457]
_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
[
  Mg  Mg0  4  0.1278  0.0783  0.2146  1
  Mg  Mg1  4  0.1660  0.1880  0.5073  1
  Mg  Mg2  4  0.3286  0.6675  0.5838  1
  Sn  Sn3  2  0.5000  0.0000  0.5000  1
  Bi  Bi4  4  0.2557  0.5796  0.2770  1
]