data_Ni2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgBi
_chemical_formula_sum   'Ni2 Hg1 Bi1'
_cell_volume   69.85
_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
  Ni  Ni2  1  0.61  0.64  0.65  1.0
  Ni  Ni3  1  0.61  0.36  0.65  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.23  0.0  0.0  1.0

data_Ni2HgBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ni2HgBi
_chemical_formula_sum   'Ni2 Hg1 Bi1'
_cell_volume   69.86
_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
  Ni  Ni0  2  0.65  0.36  0.61  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.23  1.0

Ni Ni Hg Bi