data_TiSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.73
_cell_angle_alpha   104.59
_cell_angle_beta   104.59
_cell_angle_gamma   29.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSbAs2
_chemical_formula_sum   'Ti1 Sb1 As2'
_cell_volume   83.78
_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  0.33  0.0  0.86  1.0
  Sb  Sb2  1  0.61  0.0  0.54  1.0
  As  As0  1  0.83  0.0  0.16  1.0
  As  As1  1  0.83  0.0  0.84  1.0

data_TiSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.73
_cell_length_c   6.91
_cell_angle_alpha   104.59
_cell_angle_beta   104.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSbAs2
_chemical_formula_sum   'Ti1 Sb1 As2'
_cell_volume   83.78
_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  0.86  0.33  1.0
  Sb  Sb1  1  0.0  0.54  0.61  1.0
  As  As2  1  0.0  0.16  0.83  1.0
  As  As3  1  0.0  0.84  0.83  1.0

Ti Sb As As