# generated using pymatgen
data_YSF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77298504
_cell_length_b   3.77298504
_cell_length_c   6.82666712
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSF
_chemical_formula_sum   'Y2 S2 F2'
_cell_volume   97.18044711
_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
  Y  Y0  1  0.75000000  0.75000000  0.22722802  1.0
  Y  Y1  1  0.25000000  0.25000000  0.77277198  1.0
  S  S2  1  0.75000000  0.75000000  0.64556719  1.0
  S  S3  1  0.25000000  0.25000000  0.35443281  1.0
  F  F4  1  0.75000000  0.25000000  -0.00000000  1.0
  F  F5  1  0.25000000  0.75000000  -0.00000000  1.0