data_ZrCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   138.72
_cell_angle_beta   138.72
_cell_angle_gamma   59.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdSb2
_chemical_formula_sum   'Zr1 Cd1 Sb2'
_cell_volume   95.9
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.14  0.0  0.63  1.0
  Sb  Sb1  1  0.0  0.0  0.25  1.0
  Sb  Sb2  1  0.0  0.14  0.63  1.0

data_ZrCdSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.06
_cell_angle_alpha   110.64
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdSb2
_chemical_formula_sum   'Zr1 Cd1 Sb2'
_cell_volume   95.9
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.37  0.0  0.51  1.0
  Sb  Sb2  1  0.51  0.14  0.51  1.0
  Sb  Sb3  1  0.75  0.0  0.75  1.0

Zr Cd Sb Sb
Zr Cd Sb Sb 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 