data_ScBiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.68
_cell_angle_alpha   94.8
_cell_angle_beta   94.8
_cell_angle_gamma   39.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiAs2
_chemical_formula_sum   'Sc1 Bi1 As2'
_cell_volume   95.86
_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
  Bi  Bi2  1  0.59  0.0  0.83  1.0
  As  As0  1  0.24  0.0  0.75  1.0
  As  As1  1  0.93  0.0  0.91  1.0

data_ScBiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.15
_cell_length_c   5.68
_cell_angle_alpha   94.8
_cell_angle_beta   90.0
_cell_angle_gamma   109.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiAs2
_chemical_formula_sum   'Sc1 Bi1 As2'
_cell_volume   95.86
_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
  Bi  Bi1  1  0.0  0.41  0.17  1.0
  As  As2  1  0.0  0.07  0.09  1.0
  As  As3  1  0.0  0.76  0.25  1.0

Sc Bi As As