# generated using pymatgen
data_Sc3N5F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95623500
_cell_length_b   7.95623500
_cell_length_c   11.23250700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3N5F14
_chemical_formula_sum   'Sc6 N10 F28'
_cell_volume   711.03651176
_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  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc2  1  0.00000000  0.50000000  0.00000000  1.0
  Sc  Sc3  1  0.50000000  0.00000000  0.00000000  1.0
  Sc  Sc4  1  0.50000000  0.00000000  0.50000000  1.0
  Sc  Sc5  1  0.00000000  0.50000000  0.50000000  1.0
  N  N6  1  0.00000000  0.00000000  0.50000000  1.0
  N  N7  1  0.50000000  0.50000000  0.00000000  1.0
  N  N8  1  0.32601400  0.82601400  0.25000000  1.0
  N  N9  1  0.67398600  0.17398600  0.75000000  1.0
  N  N10  1  0.67398600  0.17398600  0.25000000  1.0
  N  N11  1  0.17398600  0.32601400  0.25000000  1.0
  N  N12  1  0.32601400  0.82601400  0.75000000  1.0
  N  N13  1  0.82601400  0.67398600  0.75000000  1.0
  N  N14  1  0.82601400  0.67398600  0.25000000  1.0
  N  N15  1  0.17398600  0.32601400  0.75000000  1.0
  F  F16  1  0.25858100  0.06128800  0.00000000  1.0
  F  F17  1  0.74141900  0.93871200  0.00000000  1.0
  F  F18  1  0.93871200  0.25858100  0.00000000  1.0
  F  F19  1  0.24141900  0.56128800  0.50000000  1.0
  F  F20  1  0.06128800  0.74141900  0.00000000  1.0
  F  F21  1  0.75858100  0.43871200  0.50000000  1.0
  F  F22  1  0.56128800  0.75858100  0.50000000  1.0
  F  F23  1  0.43871200  0.24141900  0.50000000  1.0
  F  F24  1  0.00000000  0.00000000  0.17205000  1.0
  F  F25  1  0.00000000  0.00000000  0.82795000  1.0
  F  F26  1  0.50000000  0.50000000  0.32795000  1.0
  F  F27  1  0.50000000  0.50000000  0.67205000  1.0
  F  F28  1  0.04931700  0.31572200  0.37116600  1.0
  F  F29  1  0.95068300  0.68427800  0.62883400  1.0
  F  F30  1  0.95068300  0.68427800  0.37116600  1.0
  F  F31  1  0.68427800  0.04931700  0.37116600  1.0
  F  F32  1  0.45068300  0.81572200  0.12883400  1.0
  F  F33  1  0.04931700  0.31572200  0.62883400  1.0
  F  F34  1  0.31572200  0.95068300  0.62883400  1.0
  F  F35  1  0.54931700  0.18427800  0.87116600  1.0
  F  F36  1  0.31572200  0.95068300  0.37116600  1.0
  F  F37  1  0.54931700  0.18427800  0.12883400  1.0
  F  F38  1  0.68427800  0.04931700  0.62883400  1.0
  F  F39  1  0.45068300  0.81572200  0.87116600  1.0
  F  F40  1  0.81572200  0.54931700  0.12883400  1.0
  F  F41  1  0.18427800  0.45068300  0.87116600  1.0
  F  F42  1  0.18427800  0.45068300  0.12883400  1.0
  F  F43  1  0.81572200  0.54931700  0.87116600  1.0