data_[Cs2Mg12Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0780]
_cell_length_b [6.2260]
_cell_length_c [18.8625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsMg6Bi]
_chemical_formula_sum '[Cs2 Mg12 Bi2]'
_cell_volume [596.3487]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.2106  1
  Mg  Mg1  4  0.0000  0.2404  0.0377  1
  Mg  Mg2  4  0.5000  0.2494  0.9303  1
  Mg  Mg3  2  0.0000  0.0000  0.3883  1
  Mg  Mg4  2  0.0000  0.0000  0.8903  1
  Bi  Bi5  2  0.5000  0.0000  0.5748  1
]