data_[Zn6Se4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [6.0336]
_cell_length_b [14.1307]
_cell_length_c [17.4665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Zn3(SeF)2]
_chemical_formula_sum '[Zn6 Se4 F4]'
_cell_volume [1489.1712]
_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  4  0.2500  0.2500  0.5140  1
  Zn  Zn1  2  0.0000  0.0000  0.4637  1
  Se  Se2  4  0.0000  0.1569  0.4315  1
  F  F3  4  0.0000  0.3053  0.5727  1
]