data_NiHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   132.25
_cell_angle_beta   132.25
_cell_angle_gamma   69.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgBi2
_chemical_formula_sum   'Ni1 Hg1 Bi2'
_cell_volume   97.01
_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  Ni3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.29  0.32  1.0
  Bi  Bi0  1  0.29  0.0  0.32  1.0
  Bi  Bi1  1  0.0  0.0  0.63  1.0

data_NiHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.65
_cell_angle_alpha   113.87
_cell_angle_beta   113.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgBi2
_chemical_formula_sum   'Ni1 Hg1 Bi2'
_cell_volume   97.01
_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  Ni0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.97  0.29  0.97  1.0
  Bi  Bi2  1  0.37  0.0  0.37  1.0
  Bi  Bi3  1  0.68  0.0  0.97  1.0

Ni Hg Bi Bi