data_SrSc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.45
_cell_angle_alpha   113.82
_cell_angle_beta   113.82
_cell_angle_gamma   35.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Bi
_chemical_formula_sum   'Sr1 Sc2 Bi1'
_cell_volume   121.8
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.15  0.0  0.42  1.0
  Sc  Sc2  1  1.0  0.0  0.51  1.0
  Bi  Bi0  1  0.08  0.0  0.47  1.0

data_SrSc2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.45
_cell_length_c   6.54
_cell_angle_alpha   113.82
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Bi
_chemical_formula_sum   'Sr1 Sc2 Bi1'
_cell_volume   121.8
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.42  0.15  1.0
  Sc  Sc2  1  0.0  0.51  1.0  1.0
  Bi  Bi3  1  0.0  0.47  0.08  1.0

Sr Sc Sc Bi
Sr Sc Sc Bi 0 2 - o - 0 3 o o o 0 1 o o o 1 3 o o o 2 3 + o o 