data_Tc2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   131.23
_cell_angle_beta   131.23
_cell_angle_gamma   71.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoPd
_chemical_formula_sum   'Tc2 Mo1 Pd1'
_cell_volume   59.67
_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  Tc2  1  0.0  0.0  0.86  1.0
  Tc  Tc3  1  0.0  0.96  0.93  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.96  0.0  0.93  1.0

data_Tc2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.76
_cell_angle_alpha   114.38
_cell_angle_beta   114.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoPd
_chemical_formula_sum   'Tc2 Mo1 Pd1'
_cell_volume   59.67
_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  0.03  0.96  0.03  1.0
  Tc  Tc1  1  0.14  0.0  0.14  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.07  0.0  0.03  1.0

Tc Tc Mo Pd
Tc Tc Mo Pd 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + + 2 3 - o - 