data_TiCoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.59
_cell_angle_alpha   101.97
_cell_angle_beta   101.97
_cell_angle_gamma   35.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoPd2
_chemical_formula_sum   'Ti1 Co1 Pd2'
_cell_volume   57.91
_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
  Co  Co0  1  0.96  0.0  0.24  1.0
  Pd  Pd1  1  0.44  0.0  0.34  1.0
  Pd  Pd2  1  0.48  0.0  0.15  1.0

data_TiCoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.59
_cell_length_c   4.69
_cell_angle_alpha   101.97
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoPd2
_chemical_formula_sum   'Ti1 Co1 Pd2'
_cell_volume   57.91
_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
  Co  Co1  1  0.0  0.24  0.96  1.0
  Pd  Pd2  1  0.0  0.15  0.48  1.0
  Pd  Pd3  1  0.0  0.34  0.44  1.0

Ti Co Pd Pd