data_MnCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.71
_cell_angle_alpha   105.25
_cell_angle_beta   105.25
_cell_angle_gamma   32.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdTc2
_chemical_formula_sum   'Mn1 Cd1 Tc2'
_cell_volume   59.89
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.11  0.0  0.26  1.0
  Tc  Tc2  1  0.6  0.0  0.54  1.0
  Tc  Tc3  1  0.62  0.0  0.99  1.0

data_MnCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.71
_cell_length_c   4.96
_cell_angle_alpha   105.25
_cell_angle_beta   106.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdTc2
_chemical_formula_sum   'Mn1 Cd1 Tc2'
_cell_volume   59.89
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.26  0.11  1.0
  Tc  Tc2  1  0.0  0.54  0.6  1.0
  Tc  Tc3  1  0.0  0.99  0.62  1.0

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