data_TiAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.51
_cell_angle_alpha   101.48
_cell_angle_beta   101.48
_cell_angle_gamma   42.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgAs2
_chemical_formula_sum   'Ti1 Ag1 As2'
_cell_volume   74.64
_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
  Ag  Ag0  1  0.63  0.0  0.69  1.0
  As  As1  1  0.92  0.0  0.05  1.0
  As  As2  1  0.34  0.0  0.33  1.0

data_TiAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.53
_cell_length_c   5.51
_cell_angle_alpha   101.48
_cell_angle_beta   90.0
_cell_angle_gamma   111.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgAs2
_chemical_formula_sum   'Ti1 Ag1 As2'
_cell_volume   74.64
_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
  Ag  Ag1  1  0.0  0.37  0.31  1.0
  As  As2  1  0.0  0.08  0.95  1.0
  As  As3  1  0.0  0.66  0.67  1.0

Ti Ag As As