# generated using pymatgen
data_ScF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03934177
_cell_length_b   4.03934139
_cell_length_c   4.03934116
_cell_angle_alpha   90.02376241
_cell_angle_beta   90.02376647
_cell_angle_gamma   90.02374865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScF3
_chemical_formula_sum   'Sc1 F3'
_cell_volume   65.90700581
_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
  Sc  Sc0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  F  F1  1  0.50000000  0.00193025  0.99806975  1.0
  F  F2  1  0.00193025  0.99806975  0.50000000  1.0
  F  F3  1  0.99806975  0.50000000  0.00193025  1.0