data_ScBiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.93
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiAs2
_chemical_formula_sum   'Sc1 Bi1 As2'
_cell_volume   94.86
_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  0.05  0.0  0.04  1.0
  As  As0  1  0.41  0.96  0.21  1.0
  As  As1  1  0.69  0.96  0.87  1.0

data_ScBiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.97
_cell_length_c   6.36
_cell_angle_alpha   107.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiAs2
_chemical_formula_sum   'Sc1 Bi1 As2'
_cell_volume   94.86
_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  0.95  0.96  1.0
  As  As2  1  0.04  0.31  0.13  1.0
  As  As3  1  0.04  0.59  0.79  1.0

Sc Bi As As