data_Nb2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   135.38
_cell_angle_beta   135.38
_cell_angle_gamma   64.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgGe
_chemical_formula_sum   'Nb2 Hg1 Ge1'
_cell_volume   73.02
_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
  Nb  Nb2  1  0.0  0.0  0.48  1.0
  Nb  Nb3  1  0.0  0.02  0.24  1.0
  Hg  Hg1  1  0.02  0.0  0.24  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Nb2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.31
_cell_angle_alpha   112.31
_cell_angle_beta   112.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2HgGe
_chemical_formula_sum   'Nb2 Hg1 Ge1'
_cell_volume   73.02
_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
  Nb  Nb0  1  0.52  0.0  0.52  1.0
  Nb  Nb1  1  0.78  0.02  0.78  1.0
  Hg  Hg2  1  0.76  0.0  0.78  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Nb Nb Hg Ge