data_TcSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb2Pd
_chemical_formula_sum   'Tc1 Sb2 Pd1'
_cell_volume   84.78
_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  0.0  0.94  1.0
  Sb  Sb1  1  0.0  0.0  0.99  1.0
  Sb  Sb2  1  0.67  0.67  0.52  1.0
  Pd  Pd0  1  0.67  0.67  0.59  1.0

data_TcSb2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcSb2Pd
_chemical_formula_sum   'Tc2 Sb4 Pd2'
_cell_volume   169.55
_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  2  0.0  0.0  0.94  1.0
  Sb  Sb1  2  0.0  0.0  0.99  1.0
  Sb  Sb2  2  0.17  0.5  0.52  1.0
  Pd  Pd3  2  0.17  0.5  0.59  1.0

Tc Sb Sb Pd
Tc Sb Sb Pd 0 1 o o o 2 3 o o o 