data_Sc2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   147.88
_cell_angle_beta   131.9
_cell_angle_gamma   59.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdNi
_chemical_formula_sum   'Sc2 Cd1 Ni1'
_cell_volume   77.7
_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  0.61  0.0  0.46  1.0
  Sc  Sc3  1  0.0  0.0  0.58  1.0
  Cd  Cd0  1  0.61  0.0  0.68  1.0
  Ni  Ni1  1  0.0  0.0  0.5  1.0

data_Sc2CdNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.75
_cell_length_c   5.83
_cell_angle_alpha   114.05
_cell_angle_beta   106.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdNi
_chemical_formula_sum   'Sc2 Cd1 Ni1'
_cell_volume   77.7
_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  0.46  0.85  1.0
  Sc  Sc1  1  0.0  0.58  0.58  1.0
  Cd  Cd2  1  0.0  0.68  0.07  1.0
  Ni  Ni3  1  0.0  0.5  0.5  1.0

Sc Sc Cd Ni