data_NbCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.37
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Hg
_chemical_formula_sum   'Nb1 Cd2 Hg1'
_cell_volume   81.92
_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
  Nb  Nb3  1  0.0  0.0  0.71  1.0
  Cd  Cd0  1  0.49  0.18  0.24  1.0
  Cd  Cd1  1  0.0  0.0  0.55  1.0
  Hg  Hg2  1  0.49  0.18  0.23  1.0

data_NbCd2Hg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.37
_cell_length_b   2.98
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCd2Hg
_chemical_formula_sum   'Nb1 Cd2 Hg1'
_cell_volume   81.92
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  0.0  0.0  0.71  1.0
  Cd  Cd1  1  0.0  0.0  0.55  1.0
  Cd  Cd2  1  0.18  0.5  0.24  1.0
  Hg  Hg3  1  0.18  0.5  0.23  1.0

Nb Cd Cd Hg