data_[Zn6Se2F2]
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 [P1]
_cell_length_a [4.8567]
_cell_length_b [6.0595]
_cell_length_c [7.4056]
_cell_angle_alpha [112.1477]
_cell_angle_beta [92.1027]
_cell_angle_gamma [112.6197]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn3SeF]
_chemical_formula_sum '[Zn6 Se2 F2]'
_cell_volume [182.0774]
_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  1  0.0136  0.6251  0.1574  1
  Zn  Zn1  1  0.4423  0.4276  0.5105  1
  Zn  Zn2  1  0.4603  0.3555  0.1218  1
  Zn  Zn3  1  0.7114  0.9427  0.6595  1
  Zn  Zn4  1  0.9360  0.2446  0.2626  1
  Zn  Zn5  1  0.9656  0.6923  0.7543  1
  Se  Se6  1  0.1528  0.3843  0.8192  1
  Se  Se7  1  0.4953  0.9992  0.3835  1
  F  F8  1  0.4055  0.9846  0.8481  1
  F  F9  1  0.9199  0.8750  0.0471  1
]