# generated using pymatgen
data_Sc12P5C3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77210693
_cell_length_b   10.77210745
_cell_length_c   3.62600810
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12P5C3Se
_chemical_formula_sum   'Sc12 P5 C3 Se1'
_cell_volume   364.38519844
_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  0.81356869  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.18643131  0.18643131  0.00000000  1.0
  Sc  Sc2  1  0.00000000  0.81356869  0.00000000  1.0
  Sc  Sc3  1  0.00000000  0.53993184  0.00000000  1.0
  Sc  Sc4  1  0.46006816  0.46006816  0.00000000  1.0
  Sc  Sc5  1  0.53993184  1.00000000  0.00000000  1.0
  Sc  Sc6  1  0.44472064  0.20257589  0.50000000  1.0
  Sc  Sc7  1  0.79742411  0.24214475  0.50000000  1.0
  Sc  Sc8  1  0.75785525  0.55527936  0.50000000  1.0
  Sc  Sc9  1  0.55527936  0.75785525  0.50000000  1.0
  Sc  Sc10  1  0.24214475  0.79742411  0.50000000  1.0
  Sc  Sc11  1  0.20257589  0.44472064  0.50000000  1.0
  P  P12  1  0.66666700  0.33333300  0.00000000  1.0
  P  P13  1  0.33333300  0.66666700  0.00000000  1.0
  P  P14  1  0.00000000  0.29309064  0.00000000  1.0
  P  P15  1  0.70690936  0.70690936  0.00000000  1.0
  P  P16  1  0.29309064  1.00000000  0.00000000  1.0
  C  C17  1  1.00000000  0.67190232  0.50000000  1.0
  C  C18  1  0.32809768  0.32809768  0.50000000  1.0
  C  C19  1  0.67190232  0.00000000  0.50000000  1.0
  Se  Se20  1  0.00000000  0.00000000  0.50000000  1.0