data_[Sr2Zn2Bi6]
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 [Pmn2_1]
_cell_length_a [6.9421]
_cell_length_b [7.0930]
_cell_length_c [6.6306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrZnBi3]
_chemical_formula_sum '[Sr2 Zn2 Bi6]'
_cell_volume [326.4956]
_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  2  0.0000  0.7262  0.0452  1.0
  Zn  Zn1  2  0.0000  0.1194  0.3731  1.0
  Bi  Bi2  4  0.2492  0.8070  0.5205  1.0
  Bi  Bi3  2  0.0000  0.4082  0.6617  1.0
]