data_Tc2NiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   152.13
_cell_angle_beta   152.13
_cell_angle_gamma   39.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiPd2
_chemical_formula_sum   'Tc2 Ni1 Pd2'
_cell_volume   80.21
_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  0.73  0.37  1.0
  Tc  Tc4  1  0.73  0.0  0.37  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.03  1.0
  Pd  Pd2  1  0.0  0.0  0.44  1.0

data_Tc2NiPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   109.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2NiPd2
_chemical_formula_sum   'Tc4 Ni2 Pd4'
_cell_volume   160.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.36  0.36  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.0  0.0  0.56  1.0
  Pd  Pd3  2  0.0  0.0  0.97  1.0

Tc Tc Ni Pd Pd
Tc Tc Ni Pd Pd 0 4 o + o 0 1 - + o 1 4 + o o 2 3 o o o 