data_NaTi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.27
_cell_angle_alpha   102.85
_cell_angle_beta   102.85
_cell_angle_gamma   31.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Pb
_chemical_formula_sum   'Na1 Ti2 Pb1'
_cell_volume   88.08
_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
  Ti  Ti2  1  0.21  0.0  0.49  1.0
  Ti  Ti3  1  0.69  0.0  0.64  1.0
  Pb  Pb1  1  0.95  0.0  0.57  1.0

data_NaTi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.27
_cell_length_c   5.77
_cell_angle_alpha   102.85
_cell_angle_beta   105.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Pb
_chemical_formula_sum   'Na1 Ti2 Pb1'
_cell_volume   88.08
_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
  Ti  Ti1  1  0.0  0.49  0.21  1.0
  Ti  Ti2  1  0.0  0.64  0.69  1.0
  Pb  Pb3  1  0.0  0.57  0.95  1.0

Na Ti Ti Pb