data_[Ba2Zn2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.0596]
_cell_length_b [7.0664]
_cell_length_c [6.7916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaZnBi3]
_chemical_formula_sum '[Ba2 Zn2 Bi6]'
_cell_volume [338.8090]
_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  2  0.0000  0.2114  0.9495  1.0
  Zn  Zn1  2  0.0000  0.6179  0.6325  1.0
  Bi  Bi2  4  0.2496  0.6965  0.9762  1.0
  Bi  Bi3  2  0.0000  0.8999  0.3431  1.0
]