data_CrCdTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.64
_cell_angle_alpha   110.08
_cell_angle_beta   110.08
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdTc2
_chemical_formula_sum   'Cr1 Cd1 Tc2'
_cell_volume   60.95
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.16  1.0
  Tc  Tc2  1  0.39  0.0  0.4  1.0
  Tc  Tc3  1  0.61  0.0  0.92  1.0

data_CrCdTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.64
_cell_length_c   5.05
_cell_angle_alpha   110.08
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdTc2
_chemical_formula_sum   'Cr1 Cd1 Tc2'
_cell_volume   60.95
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.16  0.0  1.0
  Tc  Tc2  1  0.0  0.4  0.39  1.0
  Tc  Tc3  1  0.0  0.92  0.61  1.0

Cr Cd Tc Tc
Cr Cd Tc Tc 0 1 o o o 0 2 o o o 0 3 - o - 1 2 o o o 1 3 - o - 2 3 o o o 