data_CuTcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.46
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcPd2
_chemical_formula_sum   'Cu1 Tc1 Pd2'
_cell_volume   57.59
_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
  Cu  Cu0  1  0.0  0.0  0.01  1.0
  Tc  Tc3  1  0.0  0.23  0.57  1.0
  Pd  Pd1  1  0.35  0.23  0.23  1.0
  Pd  Pd2  1  0.35  0.0  0.38  1.0

data_CuTcPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.46
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcPd2
_chemical_formula_sum   'Cu1 Tc1 Pd2'
_cell_volume   57.59
_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
  Tc  Tc0  1  -0.0  0.23  0.57  1.0
  Cu  Cu1  1  0.0  0.0  0.01  1.0
  Pd  Pd2  1  0.35  0.0  0.38  1.0
  Pd  Pd3  1  0.35  0.23  0.23  1.0

Cu Tc Pd Pd
Cu Tc Pd Pd 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 