data_[Cs4Ba2Mg2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.3795]
_cell_length_b [10.9860]
_cell_length_c [8.9243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Cs2BaMgBi2]
_chemical_formula_sum '[Cs4 Ba2 Mg2 Bi4]'
_cell_volume [527.4105]
_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  0.0000  0.1610  0.6653  1.0
  Cs  Cs1  2  0.5000  0.0894  0.9896  1.0
  Ba  Ba2  2  0.0000  0.4589  0.9957  1.0
  Mg  Mg3  2  0.5000  0.3367  0.3410  1.0
  Bi  Bi4  2  0.0000  0.2092  0.2574  1.0
  Bi  Bi5  2  0.5000  0.4005  0.7055  1.0
]