data_MnCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.87
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   92.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdTc2
_chemical_formula_sum   'Mn1 Cd1 Tc2'
_cell_volume   63.0
_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
  Mn  Mn1  1  0.28  0.0  0.42  1.0
  Cd  Cd0  1  0.72  0.93  0.91  1.0
  Tc  Tc2  1  0.06  0.93  0.06  1.0
  Tc  Tc3  1  0.3  0.0  0.2  1.0

data_MnCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.87
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   92.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdTc2
_chemical_formula_sum   'Mn1 Cd1 Tc2'
_cell_volume   63.0
_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
  Mn  Mn0  1  0.28  0.0  0.42  1.0
  Cd  Cd1  1  0.72  0.93  0.91  1.0
  Tc  Tc2  1  0.06  0.93  0.06  1.0
  Tc  Tc3  1  0.3  0.0  0.2  1.0

Mn Cd Tc Tc
Mn Cd Tc Tc 0 3 o o o 1 2 + o + 2 3 o + o 