data_Ti2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45
_cell_length_b   9.45
_cell_length_c   9.45
_cell_angle_alpha   17.42
_cell_angle_beta   17.42
_cell_angle_gamma   17.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgPd
_chemical_formula_sum   'Ti2 Ag1 Pd1'
_cell_volume   66.05
_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  Ti2  1  0.0  0.0  0.08  1.0
  Ti  Ti3  1  0.0  0.0  0.83  1.0
  Ag  Ag0  1  0.0  0.0  0.96  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Ti2AgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2AgPd
_chemical_formula_sum   'Ti4 Ag2 Pd2'
_cell_volume   132.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.17  1.0
  Ti  Ti1  2  0.0  0.0  0.92  1.0
  Ag  Ag2  2  0.0  0.0  0.04  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

Ti Ti Ag Pd