data_TiCo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   132.35
_cell_angle_beta   132.35
_cell_angle_gamma   69.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2Pd
_chemical_formula_sum   'Ti1 Co2 Pd1'
_cell_volume   52.12
_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  0.0  0.86  0.89  1.0
  Co  Co1  1  0.86  0.0  0.89  1.0
  Pd  Pd2  1  0.0  0.0  0.78  1.0

data_TiCo2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   124.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCo2Pd
_chemical_formula_sum   'Ti2 Co4 Pd2'
_cell_volume   104.25
_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  0.0  1.0
  Co  Co1  4  0.07  0.07  0.03  1.0
  Pd  Pd2  2  0.0  0.0  0.78  1.0

Ti Co Co Pd
Ti Co Co Pd 0 2 - o - 0 1 o - - 0 3 o o - 1 3 o + o 2 3 + o o 