data_Sc2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   146.35
_cell_angle_beta   131.67
_cell_angle_gamma   60.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdAu
_chemical_formula_sum   'Sc2 Cd1 Au1'
_cell_volume   85.48
_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  Sc2  1  0.0  0.43  0.12  1.0
  Sc  Sc3  1  0.0  0.0  0.84  1.0
  Cd  Cd1  1  0.0  0.0  0.46  1.0
  Au  Au0  1  0.72  0.0  0.1  1.0

data_Sc2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.85
_cell_length_c   5.93
_cell_angle_alpha   114.16
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdAu
_chemical_formula_sum   'Sc2 Cd1 Au1'
_cell_volume   85.48
_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  0.84  0.84  1.0
  Sc  Sc1  1  0.57  0.69  0.69  1.0
  Cd  Cd2  1  0.0  0.46  0.46  1.0
  Au  Au3  1  0.0  0.1  0.38  1.0

Sc Sc Cd Au
Sc Sc Cd Au 0 1 o o - 2 3 - o o 