data_ScAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   4.06
_cell_angle_alpha   97.44
_cell_angle_beta   97.44
_cell_angle_gamma   38.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAs3
_chemical_formula_sum   'Sc1 As3'
_cell_volume   84.24
_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  Sc3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.22  0.0  0.01  1.0
  As  As1  1  0.71  0.0  0.18  1.0
  As  As2  1  0.74  0.0  0.84  1.0

data_ScAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.06
_cell_length_c   5.82
_cell_angle_alpha   97.44
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAs3
_chemical_formula_sum   'Sc1 As3'
_cell_volume   84.24
_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  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.01  0.22  1.0
  As  As2  1  0.0  0.18  0.71  1.0
  As  As3  1  0.0  0.84  0.74  1.0

Sc As As As