data_NaAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Pb
_chemical_formula_sum   'Na1 As2 Pb1'
_cell_volume   101.34
_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  0.44  1.0
  As  As0  1  0.0  0.0  0.48  1.0
  As  As1  1  0.85  0.85  0.4  1.0
  Pb  Pb3  1  0.85  0.85  0.81  1.0

data_NaAs2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAs2Pb
_chemical_formula_sum   'Na2 As4 Pb2'
_cell_volume   202.68
_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  0.44  1.0
  As  As1  2  0.0  0.0  0.48  1.0
  As  As2  2  0.35  0.5  0.4  1.0
  Pb  Pb3  2  0.35  0.5  0.81  1.0

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