data_Na2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   127.65
_cell_angle_beta   127.65
_cell_angle_gamma   77.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GePb
_chemical_formula_sum   'Na2 Ge1 Pb1'
_cell_volume   100.7
_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
  Na  Na1  1  0.0  0.42  0.15  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.29  1.0
  Pb  Pb3  1  0.42  0.0  0.15  1.0

data_Na2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.49
_cell_angle_alpha   116.18
_cell_angle_beta   116.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GePb
_chemical_formula_sum   'Na2 Ge1 Pb1'
_cell_volume   100.7
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.72  0.15  0.72  1.0
  Ge  Ge2  1  0.29  0.29  0.29  1.0
  Pb  Pb3  1  0.15  0.72  0.72  1.0

Na Na Ge Pb
Na Na Ge Pb 0 1 o o o 1 3 o o o 1 2 o o o 