data_NbCdHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   151.51
_cell_angle_beta   137.0
_cell_angle_gamma   52.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdHg
_chemical_formula_sum   'Nb1 Cd1 Hg1'
_cell_volume   59.21
_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  Nb2  1  0.0  0.0  0.78  1.0
  Cd  Cd0  1  0.0  0.0  0.02  1.0
  Hg  Hg1  1  0.0  0.0  0.38  1.0

data_NbCdHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.16
_cell_length_c   5.68
_cell_angle_alpha   111.5
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdHg
_chemical_formula_sum   'Nb1 Cd1 Hg1'
_cell_volume   59.21
_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  Nb0  1  0.0  0.78  0.78  1.0
  Cd  Cd1  1  0.0  0.02  0.02  1.0
  Hg  Hg2  1  0.0  0.38  0.38  1.0

Nb Cd Hg