data_NaAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   19.09
_cell_angle_beta   19.09
_cell_angle_gamma   19.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Pb
_chemical_formula_sum   'Na1 As2 Pb1'
_cell_volume   97.16
_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
  As  As0  1  0.0  0.0  0.57  1.0
  As  As1  1  0.0  0.0  0.26  1.0
  Pb  Pb3  1  0.0  0.0  0.92  1.0

data_NaAs2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   3.36
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAs2Pb
_chemical_formula_sum   'Na2 As4 Pb2'
_cell_volume   194.32
_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
  As  As1  2  0.0  0.0  0.74  1.0
  As  As2  2  0.0  0.0  0.43  1.0
  Pb  Pb3  2  0.0  0.0  0.08  1.0

Na As As Pb
Na As As Pb 0 3 o o - 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o - 