data_Ni2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   144.48
_cell_angle_beta   132.57
_cell_angle_gamma   60.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GePb
_chemical_formula_sum   'Ni2 Ge1 Pb1'
_cell_volume   66.55
_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  Ni1  1  0.0  0.17  0.64  1.0
  Ni  Ni2  1  0.0  0.0  0.29  1.0
  Ge  Ge0  1  0.0  0.0  0.11  1.0
  Pb  Pb3  1  0.65  0.0  0.59  1.0

data_Ni2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.34
_cell_length_c   5.4
_cell_angle_alpha   113.72
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GePb
_chemical_formula_sum   'Ni2 Ge1 Pb1'
_cell_volume   66.55
_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  0.29  0.29  1.0
  Ni  Ni1  1  0.83  0.47  0.47  1.0
  Ge  Ge2  1  0.0  0.11  0.11  1.0
  Pb  Pb3  1  0.0  0.59  0.95  1.0

Ni Ni Ge Pb
Ni Ni Ge Pb 0 1 o o o 0 3 - o o 1 2 o o o 2 3 o o o 2 3 - o - 