data_ZrNb2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Cd
_chemical_formula_sum   'Zr1 Nb2 Cd1'
_cell_volume   78.94
_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
  Nb  Nb1  1  0.81  0.0  0.3  1.0
  Nb  Nb2  1  0.81  0.0  0.43  1.0
  Cd  Cd0  1  0.0  0.0  0.86  1.0

data_ZrNb2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Cd
_chemical_formula_sum   'Zr1 Nb2 Cd1'
_cell_volume   78.94
_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
  Nb  Nb1  1  0.81  0.0  0.3  1.0
  Nb  Nb2  1  0.81  0.0  0.43  1.0
  Cd  Cd3  1  0.0  0.0  0.86  1.0

Zr Nb Nb Cd