data_ScSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.12
_cell_angle_alpha   103.4
_cell_angle_beta   103.4
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbAs2
_chemical_formula_sum   'Sc1 Sb1 As2'
_cell_volume   90.34
_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
  Sb  Sb2  1  0.95  0.0  0.0  1.0
  As  As0  1  0.67  0.02  0.89  1.0
  As  As1  1  0.67  0.98  0.89  1.0

data_ScSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   107.76
_cell_angle_beta   103.4
_cell_angle_gamma   103.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbAs2
_chemical_formula_sum   'Sc1 Sb1 As2'
_cell_volume   90.34
_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
  Sb  Sb1  1  -0.0  0.95  0.0  1.0
  As  As2  1  0.89  0.67  0.02  1.0
  As  As3  1  0.89  0.67  0.98  1.0

Sc Sb As As