data_[Cs1Rb1Mg2Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.0110]
_cell_length_b [5.0110]
_cell_length_c [8.8915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CsRb(MgBi)2]
_chemical_formula_sum '[Cs1 Rb1 Mg2 Bi2]'
_cell_volume [223.2644]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.6456  1
  Rb  Rb1  1  0.0000  0.0000  0.3468  1
  Mg  Mg2  2  0.0000  0.5000  0.0017  1
  Bi  Bi3  1  0.0000  0.0000  0.8113  1
  Bi  Bi4  1  0.5000  0.5000  0.1930  1
]