data_ScCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.41
_cell_angle_alpha   108.2
_cell_angle_beta   108.2
_cell_angle_gamma   35.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Bi
_chemical_formula_sum   'Sc1 Cd2 Bi1'
_cell_volume   99.02
_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  0.75  0.0  0.24  1.0
  Cd  Cd1  1  0.21  0.0  0.78  1.0
  Cd  Cd2  1  0.23  0.0  0.11  1.0
  Bi  Bi0  1  0.76  0.0  0.66  1.0

data_ScCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.41
_cell_length_c   5.76
_cell_angle_alpha   108.2
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd2Bi
_chemical_formula_sum   'Sc1 Cd2 Bi1'
_cell_volume   99.02
_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  0.24  0.75  1.0
  Cd  Cd1  1  0.0  0.11  0.23  1.0
  Cd  Cd2  1  0.0  0.78  0.21  1.0
  Bi  Bi3  1  0.0  0.66  0.76  1.0

Sc Cd Cd Bi