data_CdCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.63
_cell_angle_beta   133.66
_cell_angle_gamma   58.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuTc2
_chemical_formula_sum   'Cd1 Cu1 Tc2'
_cell_volume   61.3
_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
  Cd  Cd0  1  0.0  0.0  0.64  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.1  0.42  1.0
  Tc  Tc3  1  0.57  0.0  0.22  1.0

data_CdCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.19
_cell_length_c   5.33
_cell_angle_alpha   113.17
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuTc2
_chemical_formula_sum   'Cd1 Cu1 Tc2'
_cell_volume   61.3
_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
  Cd  Cd0  1  0.36  0.36  0.36  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.36  0.78  0.36  1.0
  Tc  Tc3  1  0.58  0.67  0.67  1.0

Cd Cu Tc Tc