data_NaCaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.39
_cell_angle_alpha   100.52
_cell_angle_beta   100.52
_cell_angle_gamma   37.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaPb2
_chemical_formula_sum   'Na1 Ca1 Pb2'
_cell_volume   122.3
_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  Na1  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.72  0.0  0.14  1.0
  Pb  Pb2  1  0.69  0.0  0.58  1.0
  Pb  Pb3  1  0.74  0.0  0.7  1.0

data_NaCaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.64
_cell_length_c   6.39
_cell_angle_alpha   100.52
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaPb2
_chemical_formula_sum   'Na1 Ca1 Pb2'
_cell_volume   122.3
_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  0.0  0.28  0.86  1.0
  Pb  Pb2  1  0.0  0.26  0.3  1.0
  Pb  Pb3  1  0.0  0.31  0.42  1.0

Na Ca Pb Pb