data_NaZrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   3.29
_cell_angle_alpha   90.71
_cell_angle_beta   90.71
_cell_angle_gamma   99.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrPb2
_chemical_formula_sum   'Na1 Zr1 Pb2'
_cell_volume   101.41
_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  Zr3  1  0.61  0.0  0.0  1.0
  Pb  Pb1  1  0.77  0.86  0.64  1.0
  Pb  Pb2  1  0.77  0.14  0.64  1.0

data_NaZrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   99.55
_cell_angle_beta   90.71
_cell_angle_gamma   90.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrPb2
_chemical_formula_sum   'Na1 Zr1 Pb2'
_cell_volume   101.41
_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  Zr1  1  0.0  0.61  0.0  1.0
  Pb  Pb2  1  0.64  0.77  0.14  1.0
  Pb  Pb3  1  0.64  0.77  0.86  1.0

Na Zr Pb Pb