data_Cu2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.78
_cell_angle_alpha   98.77
_cell_angle_beta   98.77
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcPd
_chemical_formula_sum   'Cu2 Tc1 Pd1'
_cell_volume   54.73
_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  0.4  0.0  0.16  1.0
  Cu  Cu1  1  0.63  0.0  0.56  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.02  0.0  0.36  1.0

data_Cu2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.59
_cell_length_c   4.78
_cell_angle_alpha   98.77
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcPd
_chemical_formula_sum   'Cu2 Tc1 Pd1'
_cell_volume   54.73
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.37  0.44  1.0
  Cu  Cu2  1  0.0  0.6  0.84  1.0
  Pd  Pd3  1  0.0  0.98  0.64  1.0

Cu Cu Tc Pd