data_Nb2ZnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.19
_cell_angle_alpha   102.31
_cell_angle_beta   102.31
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnHg
_chemical_formula_sum   'Nb2 Zn1 Hg1'
_cell_volume   72.75
_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  Nb1  1  0.65  0.0  0.92  1.0
  Nb  Nb2  1  0.58  0.0  0.86  1.0
  Zn  Zn3  1  0.36  0.0  0.53  1.0
  Hg  Hg0  1  0.11  0.0  0.34  1.0

data_Nb2ZnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.13
_cell_length_c   5.19
_cell_angle_alpha   102.31
_cell_angle_beta   90.0
_cell_angle_gamma   106.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnHg
_chemical_formula_sum   'Nb2 Zn1 Hg1'
_cell_volume   72.75
_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  0.35  0.08  1.0
  Nb  Nb1  1  0.0  0.42  0.14  1.0
  Zn  Zn2  1  0.0  0.64  0.47  1.0
  Hg  Hg3  1  0.0  0.89  0.66  1.0

Nb Nb Zn Hg