data_[Zr2Bi2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3323]
_cell_length_b [8.3212]
_cell_length_c [9.6351]
_cell_angle_alpha [75.1636]
_cell_angle_beta [83.5663]
_cell_angle_gamma [82.6824]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrBiCl2]
_chemical_formula_sum '[Zr2 Bi2 Cl4]'
_cell_volume [255.2747]
_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
[
  Zr  Zr0  2  0.2545  0.2280  0.7579  1.0
  Bi  Bi1  2  0.1279  0.0925  0.1085  1.0
  Cl  Cl2  2  0.1785  0.7701  0.4485  1.0
  Cl  Cl3  2  0.3278  0.5592  0.1884  1.0
]