data_NaTePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.7
_cell_angle_alpha   105.98
_cell_angle_beta   105.98
_cell_angle_gamma   36.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTePb2
_chemical_formula_sum   'Na1 Te1 Pb2'
_cell_volume   133.77
_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
  Te  Te3  1  0.26  0.0  0.73  1.0
  Pb  Pb1  1  0.85  0.0  0.43  1.0
  Pb  Pb2  1  0.67  0.0  0.03  1.0

data_NaTePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.7
_cell_length_c   6.41
_cell_angle_alpha   105.98
_cell_angle_beta   108.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTePb2
_chemical_formula_sum   'Na1 Te1 Pb2'
_cell_volume   133.77
_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
  Te  Te1  1  0.0  0.73  0.26  1.0
  Pb  Pb2  1  0.0  0.03  0.67  1.0
  Pb  Pb3  1  0.0  0.43  0.85  1.0

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