data_NaGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   133.44
_cell_angle_beta   133.44
_cell_angle_gamma   67.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGe2Pb
_chemical_formula_sum   'Na1 Ge2 Pb1'
_cell_volume   93.56
_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  Na2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.23  0.34  1.0
  Ge  Ge1  1  0.23  0.0  0.34  1.0
  Pb  Pb3  1  0.0  0.0  0.69  1.0

data_NaGe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   123.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGe2Pb
_chemical_formula_sum   'Na2 Ge4 Pb2'
_cell_volume   187.11
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  4  0.27  0.38  0.89  1.0
  Pb  Pb2  2  0.31  0.0  0.31  1.0

Na Ge Ge Pb