data_[Ba4Ce2Mg4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  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 [17.1687]
_cell_length_b [4.8347]
_cell_length_c [8.2211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ce(MgBi2)2]
_chemical_formula_sum '[Ba4 Ce2 Mg4 Bi8]'
_cell_volume [643.9467]
_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
[
  Ba  Ba0  4  0.1334  0.0000  0.5818  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1726  0.5000  0.9885  1.0
  Bi  Bi3  4  0.0033  0.5000  0.7377  1.0
  Bi  Bi4  4  0.2033  0.0000  0.2066  1.0
]