# generated using pymatgen
data_Sc5Pb3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65652839
_cell_length_b   8.65652838
_cell_length_c   6.43421676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Pb3Se
_chemical_formula_sum   'Sc10 Pb6 Se2'
_cell_volume   417.55512416
_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  0.75044642  0.75044642  0.75000000  1.0
  Sc  Sc1  1  0.24955358  0.00000000  0.75000000  1.0
  Sc  Sc2  1  0.00000000  0.24955358  0.75000000  1.0
  Sc  Sc3  1  0.24955358  0.24955358  0.25000000  1.0
  Sc  Sc4  1  0.75044642  1.00000000  0.25000000  1.0
  Sc  Sc5  1  1.00000000  0.75044642  0.25000000  1.0
  Sc  Sc6  1  0.66666700  0.33333300  0.00000000  1.0
  Sc  Sc7  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc8  1  0.33333300  0.66666700  0.50000000  1.0
  Sc  Sc9  1  0.66666700  0.33333300  0.50000000  1.0
  Pb  Pb10  1  0.39800907  0.39800907  0.75000000  1.0
  Pb  Pb11  1  0.60199093  0.00000000  0.75000000  1.0
  Pb  Pb12  1  0.00000000  0.60199093  0.75000000  1.0
  Pb  Pb13  1  0.60199093  0.60199093  0.25000000  1.0
  Pb  Pb14  1  0.39800907  1.00000000  0.25000000  1.0
  Pb  Pb15  1  1.00000000  0.39800907  0.25000000  1.0
  Se  Se16  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se17  1  0.00000000  0.00000000  0.50000000  1.0