data_TiAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   152.97
_cell_angle_beta   150.94
_cell_angle_gamma   40.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pb
_chemical_formula_sum   'Ti1 As2 Pb1'
_cell_volume   91.11
_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  0.06  1.0
  As  As0  1  0.0  0.87  0.97  1.0
  As  As1  1  0.0  0.0  0.31  1.0
  Pb  Pb2  1  0.0  0.87  0.65  1.0

data_TiAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.74
_cell_length_c   7.45
_cell_angle_alpha   104.53
_cell_angle_beta   103.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pb
_chemical_formula_sum   'Ti1 As2 Pb1'
_cell_volume   91.11
_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  0.94  0.94  0.94  1.0
  As  As1  1  0.03  0.9  0.9  1.0
  As  As2  1  0.69  0.69  0.69  1.0
  Pb  Pb3  1  0.35  0.22  0.22  1.0

Ti As As Pb