data_[Sr6Zn4Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4882]
_cell_length_b [5.3848]
_cell_length_c [21.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Zn2Bi3]
_chemical_formula_sum '[Sr6 Zn4 Bi6]'
_cell_volume [508.5100]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.3639  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Zn  Zn2  4  0.0000  0.5000  0.2470  1
  Bi  Bi3  4  0.0000  0.0000  0.1675  1
  Bi  Bi4  2  0.0000  0.5000  0.0000  1
]