data_TcBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   149.33
_cell_angle_beta   130.1
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBPd2
_chemical_formula_sum   'Tc1 B1 Pd2'
_cell_volume   51.7
_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  Tc3  1  0.0  0.0  0.43  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.35  0.0  0.72  1.0
  Pd  Pd2  1  0.0  0.16  0.71  1.0

data_TcBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.31
_cell_length_c   5.11
_cell_angle_alpha   114.95
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBPd2
_chemical_formula_sum   'Tc1 B1 Pd2'
_cell_volume   51.7
_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  0.43  0.43  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.72  0.37  1.0
  Pd  Pd3  1  0.84  0.55  0.55  1.0

Tc B Pd Pd