data_SrSc2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   145.59
_cell_angle_beta   131.13
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Cd
_chemical_formula_sum   'Sr1 Sc2 Cd1'
_cell_volume   113.09
_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  0.81  1.0
  Sc  Sc1  1  0.0  0.0  0.78  1.0
  Sc  Sc2  1  0.91  0.0  0.66  1.0
  Cd  Cd0  1  0.0  0.67  0.97  1.0

data_SrSc2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.34
_cell_length_c   6.45
_cell_angle_alpha   114.44
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Cd
_chemical_formula_sum   'Sr1 Sc2 Cd1'
_cell_volume   113.09
_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  0.81  0.81  1.0
  Sc  Sc1  1  0.0  0.66  0.75  1.0
  Sc  Sc2  1  0.0  0.78  0.78  1.0
  Cd  Cd3  1  0.33  0.3  0.3  1.0

Sr Sc Sc Cd