data_[Se2Cl3F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8189]
_cell_length_b [5.5982]
_cell_length_c [9.1702]
_cell_angle_alpha [103.5734]
_cell_angle_beta [91.8215]
_cell_angle_gamma [105.6406]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Se2Cl3F2]
_chemical_formula_sum '[Se2 Cl3 F2]'
_cell_volume [182.5696]
_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
[
  Se  Se0  2  0.0520  0.9154  0.2493  1
  Cl  Cl1  2  0.3347  0.7810  0.6512  1
  Cl  Cl2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.3104  0.6833  0.1804  1
]