data_Nb2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   136.04
_cell_angle_beta   136.04
_cell_angle_gamma   63.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GePt
_chemical_formula_sum   'Nb2 Ge1 Pt1'
_cell_volume   66.85
_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  Nb1  1  0.95  0.0  0.21  1.0
  Nb  Nb2  1  0.0  0.0  0.41  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.95  0.21  1.0

data_Nb2GePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.2
_cell_angle_alpha   111.98
_cell_angle_beta   111.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GePt
_chemical_formula_sum   'Nb2 Ge1 Pt1'
_cell_volume   66.85
_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  0.59  0.0  0.59  1.0
  Nb  Nb1  1  0.79  0.0  0.74  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.74  0.95  0.74  1.0

Nb Nb Ge Pt