# generated using pymatgen
data_Sc3P2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48376901
_cell_length_b   6.48376948
_cell_length_c   6.48376937
_cell_angle_alpha   146.48819019
_cell_angle_beta   131.88771220
_cell_angle_gamma   59.90436138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3P2S
_chemical_formula_sum   'Sc3 P2 S1'
_cell_volume   111.01643108
_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  0.50000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.17134092  0.67134092  0.50000000  1.0
  Sc  Sc2  1  0.82865908  0.32865908  0.50000000  1.0
  P  P3  1  0.66554165  0.66554165  1.00000000  1.0
  P  P4  1  0.33445835  0.33445835  0.00000000  1.0
  S  S5  1  0.00000000  0.00000000  0.00000000  1.0