# generated using pymatgen
data_Sc3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36410320
_cell_length_b   10.36412814
_cell_length_c   3.86897692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00008309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3As2
_chemical_formula_sum   'Sc12 As8'
_cell_volume   415.58574428
_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
  Sc  Sc0  1  0.13502700  0.80694383  0.50000000  1.0
  Sc  Sc1  1  0.86497300  0.19305617  0.50000000  1.0
  Sc  Sc2  1  0.19305090  0.13504010  0.50000000  1.0
  Sc  Sc3  1  0.80694910  0.86495990  0.50000000  1.0
  Sc  Sc4  1  0.39527262  0.71734818  -0.00000000  1.0
  Sc  Sc5  1  0.60472738  0.28265182  0.00000000  1.0
  Sc  Sc6  1  0.28265488  0.39529008  0.00000000  1.0
  Sc  Sc7  1  0.71734512  0.60470992  0.00000000  1.0
  Sc  Sc8  1  -0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc9  1  0.50000000  -0.00000000  0.50000000  1.0
  Sc  Sc10  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc11  1  -0.00000000  -0.00000000  -0.00000000  1.0
  As  As12  1  0.25373454  0.58079333  0.50000000  1.0
  As  As13  1  0.74626546  0.41920667  0.50000000  1.0
  As  As14  1  0.41918681  0.25374682  0.50000000  1.0
  As  As15  1  0.58081319  0.74625318  0.50000000  1.0
  As  As16  1  0.27637423  0.95012600  0.00000000  1.0
  As  As17  1  0.72362577  0.04987400  0.00000000  1.0
  As  As18  1  0.04990793  0.27636684  0.00000000  1.0
  As  As19  1  0.95009207  0.72363316  -0.00000000  1.0