data_Ni2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.85
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   42.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgGe
_chemical_formula_sum   'Ni2 Hg1 Ge1'
_cell_volume   61.04
_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  0.28  0.0  0.11  1.0
  Ni  Ni3  1  0.04  0.0  0.64  1.0
  Hg  Hg1  1  0.16  0.0  0.87  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Ni2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.97
_cell_length_c   5.85
_cell_angle_alpha   99.98
_cell_angle_beta   90.0
_cell_angle_gamma   111.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgGe
_chemical_formula_sum   'Ni2 Hg1 Ge1'
_cell_volume   61.04
_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  0.72  0.89  1.0
  Ni  Ni1  1  0.0  0.96  0.36  1.0
  Hg  Hg2  1  0.0  0.84  0.13  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ni Ni Hg Ge