data_[Zn4Br2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.7652]
_cell_length_b [18.5541]
_cell_length_c [6.1037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Zn2BrF3]
_chemical_formula_sum '[Zn4 Br2 F6]'
_cell_volume [766.1507]
_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
[
  Zn  Zn0  2  0.0000  0.4522  0.7455  1
  Zn  Zn1  2  0.0000  0.5587  0.2635  1
  Br  Br2  2  0.0000  0.5763  0.8734  1
  F  F3  4  0.2394  0.4043  0.8445  1
  F  F4  2  0.0000  0.4684  0.4287  1
]