data_[Zr2Pb2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6627]
_cell_length_b [3.4507]
_cell_length_c [7.4173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrPbBr2]
_chemical_formula_sum '[Zr2 Pb2 Br4]'
_cell_volume [266.1579]
_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  0.2265  0.5000  0.3878  1
  Pb  Pb1  2  0.4385  0.0000  0.3537  1
  Br  Br2  2  0.0932  0.0000  0.0769  1
  Br  Br3  2  0.2418  0.0000  0.6816  1
]