data_Sc2BeCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   21.16
_cell_angle_beta   21.16
_cell_angle_gamma   21.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeCd
_chemical_formula_sum   'Sc2 Be1 Cd1'
_cell_volume   82.01
_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  0.0  0.36  1.0
  Sc  Sc3  1  0.0  0.0  0.91  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.13  1.0

data_Sc2BeCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2BeCd
_chemical_formula_sum   'Sc4 Be2 Cd2'
_cell_volume   164.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.64  1.0
  Sc  Sc1  2  -0.0  0.0  0.09  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  -0.0  0.0  0.87  1.0

Sc Sc Be Cd