data_NaZr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.68
_cell_length_b   11.68
_cell_length_c   11.68
_cell_angle_alpha   15.84
_cell_angle_beta   15.84
_cell_angle_gamma   15.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Pb
_chemical_formula_sum   'Na1 Zr2 Pb1'
_cell_volume   103.54
_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
  Zr  Zr2  1  0.0  0.0  0.18  1.0
  Zr  Zr3  1  0.0  0.0  0.42  1.0
  Pb  Pb1  1  0.0  0.0  0.3  1.0

data_NaZr2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   11.68
_cell_angle_alpha   90.0
_cell_angle_beta   99.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZr2Pb
_chemical_formula_sum   'Na2 Zr4 Pb2'
_cell_volume   207.08
_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
  Zr  Zr1  2  0.0  0.0  0.58  1.0
  Zr  Zr2  2  0.0  0.0  0.82  1.0
  Pb  Pb3  2  0.0  0.0  0.7  1.0

Na Zr Zr Pb