data_[Ba4Li4Zn4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.8394]
_cell_length_b [17.7049]
_cell_length_c [6.8396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLiZnBi3]
_chemical_formula_sum '[Ba4 Li4 Zn4 Bi12]'
_cell_volume [828.2141]
_cell_formula_units_Z [4]
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  0.0000  0.3120  0.2500  1
  Li  Li1  4  0.0000  0.3995  0.7500  1
  Zn  Zn2  4  0.0000  0.0968  0.7500  1
  Bi  Bi3  8  0.2446  0.5000  0.0000  1
  Bi  Bi4  4  0.0000  0.2461  0.7500  1
]