data_K2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.29
_cell_angle_alpha   98.25
_cell_angle_beta   98.25
_cell_angle_gamma   27.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcPd
_chemical_formula_sum   'K2 Tc1 Pd1'
_cell_volume   85.27
_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
  K  K0  1  0.46  0.0  0.34  1.0
  K  K1  1  0.21  0.0  0.89  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.33  0.0  0.62  1.0

data_K2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.29
_cell_length_c   5.9
_cell_angle_alpha   98.25
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcPd
_chemical_formula_sum   'K2 Tc1 Pd1'
_cell_volume   85.27
_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
  K  K0  1  0.0  0.34  0.46  1.0
  K  K1  1  0.0  0.89  0.21  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.62  0.33  1.0

K K Tc Pd
K K Tc Pd 0 3 o o o 1 2 o o + 1 3 o o o 