data_TcPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd5
_chemical_formula_sum   'Tc1 Pd5'
_cell_volume   91.06
_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  Tc5  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.24  0.0  0.27  1.0
  Pd  Pd1  1  0.78  0.36  0.27  1.0
  Pd  Pd2  1  0.38  0.81  0.27  1.0
  Pd  Pd3  1  0.4  0.39  0.0  1.0
  Pd  Pd4  1  0.0  0.78  0.0  1.0

data_TcPd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd5
_chemical_formula_sum   'Tc1 Pd5'
_cell_volume   91.06
_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
  Pd  Pd1  1  -0.0  0.4  0.39  1.0
  Pd  Pd2  1  -0.0  0.0  0.78  1.0
  Pd  Pd3  1  0.27  0.24  0.0  1.0
  Pd  Pd4  1  0.27  0.38  0.81  1.0
  Pd  Pd5  1  0.27  0.78  0.36  1.0

Tc Pd Pd Pd Pd Pd