data_TiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs3
_chemical_formula_sum   'Ti1 As3'
_cell_volume   70.38
_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  0.43  0.81  0.7  1.0
  As  As1  1  0.43  0.19  0.7  1.0
  As  As2  1  0.85  0.0  0.0  1.0

data_TiAs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   103.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs3
_chemical_formula_sum   'Ti1 As3'
_cell_volume   70.38
_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  0.0  0.85  0.0  1.0
  As  As2  1  0.7  0.43  0.19  1.0
  As  As3  1  0.7  0.43  0.81  1.0

Ti As As As