data_[C2Se2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8388]
_cell_length_b [5.0292]
_cell_length_c [5.5995]
_cell_angle_alpha [89.7295]
_cell_angle_beta [78.3021]
_cell_angle_gamma [84.4777]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CSeF]
_chemical_formula_sum '[C2 Se2 F2]'
_cell_volume [132.8006]
_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
[
  C  C0  1  0.0636  0.4584  0.7234  1
  C  C1  1  0.1547  0.6964  0.7667  1
  Se  Se2  1  0.1593  0.2467  0.4329  1
  Se  Se3  1  0.4396  0.8781  0.5655  1
  F  F4  1  0.0390  0.8163  0.9873  1
  F  F5  1  0.8708  0.3604  0.9068  1
]