# generated using pymatgen
data_Sc(NF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24613400
_cell_length_b   5.24613400
_cell_length_c   9.95059300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(NF2)3
_chemical_formula_sum   'Sc2 N6 F12'
_cell_volume   273.85944386
_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
  Sc  Sc0  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.50000000  0.50000000  0.00000000  1.0
  N  N3  1  0.00000000  0.00000000  0.50000000  1.0
  N  N4  1  0.00000000  0.50000000  0.25000000  1.0
  N  N5  1  0.50000000  0.00000000  0.75000000  1.0
  N  N6  1  0.50000000  0.00000000  0.25000000  1.0
  N  N7  1  0.00000000  0.50000000  0.75000000  1.0
  F  F8  1  0.50000000  0.50000000  0.29516000  1.0
  F  F9  1  0.00000000  0.00000000  0.79516000  1.0
  F  F10  1  0.50000000  0.50000000  0.70484000  1.0
  F  F11  1  0.00000000  0.00000000  0.20484000  1.0
  F  F12  1  0.70839000  0.83119800  0.50000000  1.0
  F  F13  1  0.29161000  0.16880200  0.50000000  1.0
  F  F14  1  0.79161000  0.33119800  0.00000000  1.0
  F  F15  1  0.20839000  0.66880200  0.00000000  1.0
  F  F16  1  0.83119800  0.29161000  0.50000000  1.0
  F  F17  1  0.16880200  0.70839000  0.50000000  1.0
  F  F18  1  0.33119800  0.20839000  0.00000000  1.0
  F  F19  1  0.66880200  0.79161000  0.00000000  1.0