data_BaSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   146.75
_cell_angle_beta   130.73
_cell_angle_gamma   60.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Cd
_chemical_formula_sum   'Ba1 Sc2 Cd1'
_cell_volume   116.42
_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
  Ba  Ba0  1  0.0  0.74  0.2  1.0
  Sc  Sc2  1  0.0  0.74  0.42  1.0
  Sc  Sc3  1  0.0  0.0  0.62  1.0
  Cd  Cd1  1  0.0  0.0  0.76  1.0

data_BaSc2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.47
_cell_length_c   6.56
_cell_angle_alpha   114.64
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Cd
_chemical_formula_sum   'Ba1 Sc2 Cd1'
_cell_volume   116.42
_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
  Ba  Ba0  1  0.26  0.47  0.47  1.0
  Sc  Sc1  1  0.0  0.62  0.62  1.0
  Sc  Sc2  1  0.26  0.68  0.68  1.0
  Cd  Cd3  1  0.0  0.76  0.76  1.0

Ba Sc Sc Cd