# generated using pymatgen
data_Sc5Se6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68270210
_cell_length_b   6.68270212
_cell_length_c   12.80846051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998508
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Se6
_chemical_formula_sum   'Sc10 Se12'
_cell_volume   495.37243373
_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  0.66666700  0.33333300  0.49693374  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.00306626  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.25000000  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.50306626  1.0
  Sc  Sc4  1  0.33333300  0.66666700  0.99693374  1.0
  Sc  Sc5  1  0.00000000  0.00000000  0.75000000  1.0
  Sc  Sc6  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc7  1  0.66666700  0.33333300  0.75000000  1.0
  Sc  Sc8  1  0.33333300  0.66666700  0.25000000  1.0
  Sc  Sc9  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se10  1  0.33554929  0.00512846  0.87571024  1.0
  Se  Se11  1  0.00512846  0.66957916  0.12428976  1.0
  Se  Se12  1  0.66957916  0.00512846  0.62428976  1.0
  Se  Se13  1  0.33554929  0.33042084  0.62428976  1.0
  Se  Se14  1  0.33042084  0.99487154  0.37571024  1.0
  Se  Se15  1  0.99487154  0.33042084  0.87571024  1.0
  Se  Se16  1  0.33042084  0.33554929  0.12428976  1.0
  Se  Se17  1  0.00512846  0.33554929  0.37571024  1.0
  Se  Se18  1  0.66445071  0.66957916  0.37571024  1.0
  Se  Se19  1  0.66445071  0.99487154  0.12428976  1.0
  Se  Se20  1  0.99487154  0.66445071  0.62428976  1.0
  Se  Se21  1  0.66957916  0.66445071  0.87571024  1.0