# generated using pymatgen
data_Sc2AsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55943009
_cell_length_b   6.55943061
_cell_length_c   6.55943011
_cell_angle_alpha   131.76864136
_cell_angle_beta   131.76865245
_cell_angle_gamma   70.59467337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AsS
_chemical_formula_sum   'Sc4 As2 S2'
_cell_volume   153.81215771
_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  0.75041739  0.75041739  0.00000000  1.0
  Sc  Sc1  1  0.24958261  0.24958261  0.00000000  1.0
  Sc  Sc2  1  0.99958261  0.49958261  0.50000000  1.0
  Sc  Sc3  1  0.50041739  0.00041739  0.50000000  1.0
  As  As4  1  0.50000000  0.50000000  0.00000000  1.0
  As  As5  1  0.25000000  0.75000000  0.50000000  1.0
  S  S6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.75000000  0.25000000  0.50000000  1.0