data_Nb2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.45
_cell_angle_alpha   117.49
_cell_angle_beta   117.49
_cell_angle_gamma   30.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgCl
_chemical_formula_sum   'Nb2 Hg1 Cl1'
_cell_volume   75.98
_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  0.02  0.0  0.67  1.0
  Nb  Nb3  1  0.2  0.0  0.11  1.0
  Hg  Hg1  1  0.11  0.0  0.39  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2HgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.45
_cell_length_c   5.61
_cell_angle_alpha   117.49
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgCl
_chemical_formula_sum   'Nb2 Hg1 Cl1'
_cell_volume   75.98
_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  0.11  0.2  1.0
  Nb  Nb1  1  0.0  0.67  0.02  1.0
  Hg  Hg2  1  0.0  0.39  0.11  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Nb Hg Cl