data_ScCdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   136.39
_cell_angle_beta   135.18
_cell_angle_gamma   64.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdPt2
_chemical_formula_sum   'Sc1 Cd1 Pt2'
_cell_volume   69.92
_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  0.44  1.0
  Cd  Cd0  1  0.0  0.01  0.23  1.0
  Pt  Pt1  1  0.0  0.0  0.91  1.0
  Pt  Pt2  1  0.96  0.0  0.25  1.0

data_ScCdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.01
_cell_length_c   5.26
_cell_angle_alpha   112.41
_cell_angle_beta   111.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdPt2
_chemical_formula_sum   'Sc1 Cd1 Pt2'
_cell_volume   69.92
_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  0.44  0.44  1.0
  Cd  Cd1  1  0.99  0.22  0.22  1.0
  Pt  Pt2  1  0.0  0.25  0.29  1.0
  Pt  Pt3  1  0.0  0.91  0.91  1.0

Sc Cd Pt Pt