data_TiAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pb
_chemical_formula_sum   'Ti1 As2 Pb1'
_cell_volume   83.33
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.48  0.92  0.83  1.0
  As  As1  1  0.48  0.08  0.83  1.0
  Pb  Pb2  1  0.97  0.0  0.0  1.0

data_TiAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   104.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pb
_chemical_formula_sum   'Ti1 As2 Pb1'
_cell_volume   83.33
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.83  0.48  0.08  1.0
  As  As2  1  0.83  0.48  0.92  1.0
  Pb  Pb3  1  0.0  0.97  0.0  1.0

Ti As As Pb