data_Tc2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PdO4
_chemical_formula_sum   'Tc4 Pd2 O8'
_cell_volume   170.76
_cell_formula_units_Z   2
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  Tc10  1  0.3  0.3  0.5  1.0
  Tc  Tc11  1  0.3  0.5  0.3  1.0
  Tc  Tc12  1  0.5  0.3  0.3  1.0
  Tc  Tc13  1  0.5  0.5  0.5  1.0
  Pd  Pd8  1  0.0  0.0  0.0  1.0
  Pd  Pd9  1  0.2  0.2  0.2  1.0
  O  O0  1  0.45  0.45  0.45  1.0
  O  O1  1  0.45  0.35  0.35  1.0
  O  O2  1  0.35  0.45  0.35  1.0
  O  O3  1  0.66  0.66  0.55  1.0
  O  O4  1  0.35  0.35  0.45  1.0
  O  O5  1  0.66  0.55  0.66  1.0
  O  O6  1  0.55  0.55  0.55  1.0
  O  O7  1  0.55  0.66  0.66  1.0

data_Tc2PdO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   15.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tc2PdO4
_chemical_formula_sum   'Tc12 Pd6 O24'
_cell_volume   512.28
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.13  0.63  1.0
  Tc  Tc1  3  0.0  0.0  0.5  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.8  1.0
  O  O4  9  0.03  0.07  0.61  1.0
  O  O5  9  0.07  0.03  0.38  1.0
  O  O6  3  0.0  0.0  0.45  1.0
  O  O7  3  0.0  0.0  0.55  1.0

Tc Tc Tc Tc Pd Pd O O O O O O O O