data_[Na2Zn1Sn1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1977]
_cell_length_b [7.6597]
_cell_length_c [7.7291]
_cell_angle_alpha [118.6731]
_cell_angle_beta [102.9546]
_cell_angle_gamma [100.8880]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2ZnSnBr6]
_chemical_formula_sum '[Na2 Zn1 Sn1 Br6]'
_cell_volume [341.7499]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.5037  0.9977  0.5010  1.0
  Na  Na1  1  0.7521  0.7719  0.8986  1.0
  Zn  Zn2  1  0.1580  0.5354  0.7241  1.0
  Sn  Sn3  1  0.5145  0.3386  0.1393  1.0
  Br  Br4  1  0.2115  0.8550  0.0576  1.0
  Br  Br5  1  0.2502  0.2424  0.7260  1.0
  Br  Br6  1  0.3408  0.6237  0.5329  1.0
  Br  Br7  1  0.7244  0.7417  0.2605  1.0
  Br  Br8  1  0.7770  0.1816  0.9511  1.0
  Br  Br9  1  0.7830  0.3888  0.5474  1.0
]