data_NdGePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   7.34
_cell_angle_alpha   128.51
_cell_angle_beta   128.51
_cell_angle_gamma   45.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdGePt
_chemical_formula_sum   'Nd2 Ge2 Pt2'
_cell_volume   127.82
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.27  0.0  0.67  1.0
  Nd  Nd1  1  0.41  0.0  0.75  1.0
  Ge  Ge2  1  0.45  0.0  0.89  1.0
  Ge  Ge3  1  0.23  0.0  0.53  1.0
  Pt  Pt4  1  0.35  0.0  0.9  1.0
  Pt  Pt5  1  0.33  0.0  0.52  1.0

data_NdGePt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.43
_cell_length_b   5.76
_cell_length_c   5.87
_cell_angle_alpha   78.3
_cell_angle_beta   67.81
_cell_angle_gamma   67.38
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdGePt
_chemical_formula_sum   'Nd2 Ge2 Pt2'
_cell_volume   127.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Nd  Nd0  2  0.0  0.47  0.46  1.0
  Ge  Ge1  2  0.0  0.43  0.68  1.0
  Pt  Pt2  2  0.0  0.32  0.69  1.0

Nd Nd Ge Ge Pt Pt