data_NiHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.96
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Ge
_chemical_formula_sum   'Ni1 Hg2 Ge1'
_cell_volume   80.44
_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  0.93  0.0  0.49  1.0
  Hg  Hg1  1  0.07  0.0  0.06  1.0
  Hg  Hg2  1  0.44  0.98  0.66  1.0
  Ge  Ge0  1  0.16  0.98  0.46  1.0

data_NiHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.97
_cell_length_c   5.34
_cell_angle_alpha   107.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Ge
_chemical_formula_sum   'Ni1 Hg2 Ge1'
_cell_volume   80.44
_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  0.07  0.51  1.0
  Hg  Hg1  1  0.0  0.93  0.94  1.0
  Hg  Hg2  1  0.02  0.56  0.34  1.0
  Ge  Ge3  1  0.02  0.84  0.54  1.0

Ni Hg Hg Ge