data_MnNbHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.19
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   92.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbHg2
_chemical_formula_sum   'Mn1 Nb1 Hg2'
_cell_volume   73.48
_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
  Mn  Mn2  1  0.88  0.0  0.92  1.0
  Nb  Nb3  1  0.23  0.6  0.12  1.0
  Hg  Hg0  1  0.65  0.0  0.21  1.0
  Hg  Hg1  1  0.45  0.6  0.11  1.0

data_MnNbHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.19
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   92.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbHg2
_chemical_formula_sum   'Mn1 Nb1 Hg2'
_cell_volume   73.48
_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
  Mn  Mn0  1  0.88  0.0  0.92  1.0
  Nb  Nb1  1  0.23  0.6  0.12  1.0
  Hg  Hg2  1  0.45  0.6  0.11  1.0
  Hg  Hg3  1  0.65  0.0  0.21  1.0

Mn Nb Hg Hg
Mn Nb Hg Hg 0 3 o - + 0 3 o o + 0 3 + - + 0 2 o o + 0 1 + - + 0 1 + o + 1 3 o o o 2 3 o - o 