# generated using pymatgen
data_SnClF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05497800
_cell_length_b   4.05497800
_cell_length_c   7.36387000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnClF
_chemical_formula_sum   'Sn2 Cl2 F2'
_cell_volume   121.08298465
_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
  Sn  Sn0  1  0.00000000  0.50000000  0.79639000  1.0
  Sn  Sn1  1  0.50000000  0.00000000  0.20361000  1.0
  Cl  Cl2  1  0.50000000  0.00000000  0.65063300  1.0
  Cl  Cl3  1  0.00000000  0.50000000  0.34936700  1.0
  F  F4  1  0.50000000  0.50000000  0.00000000  1.0
  F  F5  1  0.00000000  0.00000000  0.00000000  1.0