data_Ni2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   19.5
_cell_angle_beta   19.5
_cell_angle_gamma   19.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GePt
_chemical_formula_sum   'Ni2 Ge1 Pt1'
_cell_volume   52.96
_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  0.0  0.85  1.0
  Ni  Ni2  1  0.0  0.0  0.16  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.01  1.0

data_Ni2GePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   2.76
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2GePt
_chemical_formula_sum   'Ni4 Ge2 Pt2'
_cell_volume   105.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.15  1.0
  Ni  Ni1  2  0.0  0.0  0.84  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.99  1.0

Ni Ni Ge Pt
Ni Ni Ge Pt 0 3 o o + 0 2 o o + 1 3 o o o 1 2 o o o 2 3 o o o 