data_Tc2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   145.98
_cell_angle_beta   125.7
_cell_angle_gamma   65.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BPd
_chemical_formula_sum   'Tc2 B1 Pd1'
_cell_volume   51.27
_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  0.21  0.46  1.0
  Tc  Tc3  1  0.42  0.0  0.61  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.08  1.0

data_Tc2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.43
_cell_length_c   4.85
_cell_angle_alpha   117.15
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BPd
_chemical_formula_sum   'Tc2 B1 Pd1'
_cell_volume   51.27
_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  0.54  0.75  0.75  1.0
  Tc  Tc1  1  0.8  0.39  0.8  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.92  0.92  0.92  1.0

Tc Tc B Pd