data_ZrGePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   4.02
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGePt
_chemical_formula_sum   'Zr4 Ge4 Pt4'
_cell_volume   209.48
_cell_formula_units_Z   4
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
  Zr  Zr8  1  0.18  0.0  0.3  1.0
  Zr  Zr9  1  0.18  0.01  0.42  1.0
  Zr  Zr10  1  0.54  0.01  0.46  1.0
  Zr  Zr11  1  0.55  0.0  0.34  1.0
  Ge  Ge0  1  0.71  0.0  0.94  1.0
  Ge  Ge1  1  0.65  0.01  0.82  1.0
  Ge  Ge2  1  0.01  0.01  0.82  1.0
  Ge  Ge3  1  0.07  0.0  0.94  1.0
  Pt  Pt4  1  0.97  0.0  0.49  1.0
  Pt  Pt5  1  0.39  0.01  0.37  1.0
  Pt  Pt6  1  0.75  0.01  0.27  1.0
  Pt  Pt7  1  0.34  0.0  0.39  1.0

data_ZrGePt
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   6.72
_cell_length_b   4.02
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   ZrGePt
_chemical_formula_sum   'Zr4 Ge4 Pt4'
_cell_volume   209.48
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Zr  Zr0  2  0.18  0.0  0.08  1.0
  Zr  Zr1  2  0.18  0.0  0.96  1.0
  Ge  Ge2  2  0.29  0.0  0.44  1.0
  Ge  Ge3  2  0.35  0.0  0.56  1.0
  Pt  Pt4  2  0.03  0.0  0.99  1.0
  Pt  Pt5  2  0.39  0.0  0.89  1.0

Zr Zr Zr Zr Ge Ge Ge Ge Pt Pt Pt Pt
Zr Zr Zr Zr Ge Ge Ge Ge Pt Pt Pt Pt 0 1 o o o 1 11 o o o 1 8 - o o 2 3 o o o 3 9 o o o 3 10 o o o 4 5 o o o 6 7 o o o 9 11 o o o 