data_TlCoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   143.98
_cell_angle_beta   132.0
_cell_angle_gamma   61.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoPd
_chemical_formula_sum   'Tl1 Co1 Pd1'
_cell_volume   49.89
_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
  Tl  Tl2  1  0.0  0.0  0.81  1.0
  Co  Co0  1  0.0  0.0  0.03  1.0
  Pd  Pd1  1  0.0  0.0  0.53  1.0

data_TlCoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.96
_cell_length_c   4.87
_cell_angle_alpha   114.0
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoPd
_chemical_formula_sum   'Tl1 Co1 Pd1'
_cell_volume   49.89
_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
  Tl  Tl0  1  0.19  0.19  0.19  1.0
  Co  Co1  1  0.97  0.97  0.97  1.0
  Pd  Pd2  1  0.47  0.47  0.47  1.0

Tl Co Pd
Tl Co Pd 0 1 o o + 0 2 o o o 