data_TiGaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   134.25
_cell_angle_beta   128.27
_cell_angle_gamma   71.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaPd2
_chemical_formula_sum   'Ti1 Ga1 Pd2'
_cell_volume   60.93
_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
  Ga  Ga0  1  0.0  0.0  0.9  1.0
  Pd  Pd1  1  0.0  0.09  0.92  1.0
  Pd  Pd2  1  0.87  0.0  0.98  1.0

data_TiGaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.19
_cell_length_c   4.8
_cell_angle_alpha   115.87
_cell_angle_beta   112.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaPd2
_chemical_formula_sum   'Ti1 Ga1 Pd2'
_cell_volume   60.93
_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
  Ga  Ga1  1  0.1  0.1  0.1  1.0
  Pd  Pd2  1  0.08  0.18  0.18  1.0
  Pd  Pd3  1  0.89  0.02  0.89  1.0

Ti Ga Pd Pd