data_NaCa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   132.12
_cell_angle_beta   132.12
_cell_angle_gamma   70.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2Pb
_chemical_formula_sum   'Na1 Ca2 Pb1'
_cell_volume   129.32
_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
  Ca  Ca0  1  0.0  0.0  0.09  1.0
  Ca  Ca1  1  0.0  0.52  0.54  1.0
  Pb  Pb3  1  0.52  0.0  0.54  1.0

data_NaCa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.21
_cell_angle_alpha   113.94
_cell_angle_beta   113.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2Pb
_chemical_formula_sum   'Na1 Ca2 Pb1'
_cell_volume   129.32
_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
  Ca  Ca1  1  0.02  0.54  0.02  1.0
  Ca  Ca2  1  0.09  0.09  0.09  1.0
  Pb  Pb3  1  0.54  0.02  0.02  1.0

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