data_CrCd2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Tc
_chemical_formula_sum   'Cr1 Cd2 Tc1'
_cell_volume   66.16
_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  Cr2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.64  0.0  0.05  1.0
  Cd  Cd1  1  0.64  0.0  0.27  1.0
  Tc  Tc3  1  0.0  0.0  0.66  1.0

data_CrCd2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Tc
_chemical_formula_sum   'Cr1 Cd2 Tc1'
_cell_volume   66.16
_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  0.64  0.0  0.05  1.0
  Cd  Cd2  1  0.64  0.0  0.27  1.0
  Tc  Tc3  1  0.0  0.0  0.66  1.0

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