# generated using pymatgen
data_Na2ScCuF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34252300
_cell_length_b   7.77302600
_cell_length_c   10.63958700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScCuF7
_chemical_formula_sum   'Na8 Sc4 Cu4 F28'
_cell_volume   607.23976864
_cell_formula_units_Z   4
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
  Na  Na0  1  0.00000000  0.50000000  0.00000000  1.0
  Na  Na1  1  0.50000000  0.50000000  0.00000000  1.0
  Na  Na2  1  0.00000000  0.00000000  0.50000000  1.0
  Na  Na3  1  0.50000000  0.00000000  0.50000000  1.0
  Na  Na4  1  0.25000000  0.21625100  0.76162900  1.0
  Na  Na5  1  0.25000000  0.28374900  0.26162900  1.0
  Na  Na6  1  0.75000000  0.71625100  0.73837100  1.0
  Na  Na7  1  0.75000000  0.78374900  0.23837100  1.0
  Sc  Sc8  1  0.25000000  0.72225600  0.76761600  1.0
  Sc  Sc9  1  0.75000000  0.22225600  0.73238400  1.0
  Sc  Sc10  1  0.75000000  0.27774400  0.23238400  1.0
  Sc  Sc11  1  0.25000000  0.77774400  0.26761600  1.0
  Cu  Cu12  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu13  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu14  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu15  1  0.00000000  0.00000000  0.00000000  1.0
  F  F16  1  0.53035300  0.26431100  0.62146500  1.0
  F  F17  1  0.03035300  0.73568900  0.37853500  1.0
  F  F18  1  0.46964700  0.76431100  0.87853500  1.0
  F  F19  1  0.96964700  0.23568900  0.12146500  1.0
  F  F20  1  0.46964700  0.73568900  0.37853500  1.0
  F  F21  1  0.96964700  0.26431100  0.62146500  1.0
  F  F22  1  0.53035300  0.23568900  0.12146500  1.0
  F  F23  1  0.03035300  0.76431100  0.87853500  1.0
  F  F24  1  0.44673300  0.64398500  0.64359000  1.0
  F  F25  1  0.94673300  0.35601500  0.35641000  1.0
  F  F26  1  0.55326700  0.14398500  0.85641000  1.0
  F  F27  1  0.05326700  0.85601500  0.14359000  1.0
  F  F28  1  0.55326700  0.35601500  0.35641000  1.0
  F  F29  1  0.05326700  0.64398500  0.64359000  1.0
  F  F30  1  0.44673300  0.85601500  0.14359000  1.0
  F  F31  1  0.94673300  0.14398500  0.85641000  1.0
  F  F32  1  0.25000000  0.06500600  0.96691400  1.0
  F  F33  1  0.75000000  0.93499400  0.03308600  1.0
  F  F34  1  0.75000000  0.56500600  0.53308600  1.0
  F  F35  1  0.25000000  0.43499400  0.46691400  1.0
  F  F36  1  0.25000000  0.94835900  0.67127700  1.0
  F  F37  1  0.75000000  0.05164100  0.32872300  1.0
  F  F38  1  0.75000000  0.44835900  0.82872300  1.0
  F  F39  1  0.25000000  0.55164100  0.17127700  1.0
  F  F40  1  0.25000000  0.48317900  0.85550100  1.0
  F  F41  1  0.75000000  0.51682100  0.14449900  1.0
  F  F42  1  0.75000000  0.98317900  0.64449900  1.0
  F  F43  1  0.25000000  0.01682100  0.35550100  1.0