data_YCd2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   141.86
_cell_angle_beta   133.08
_cell_angle_gamma   62.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Tc
_chemical_formula_sum   'Y1 Cd2 Tc1'
_cell_volume   82.92
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.27  0.26  1.0
  Cd  Cd1  1  0.86  0.0  0.63  1.0
  Tc  Tc2  1  0.0  0.0  0.89  1.0

data_YCd2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.54
_cell_length_c   5.71
_cell_angle_alpha   113.46
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Tc
_chemical_formula_sum   'Y1 Cd2 Tc1'
_cell_volume   82.92
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.63  0.77  1.0
  Cd  Cd2  1  0.73  0.99  0.99  1.0
  Tc  Tc3  1  0.0  0.89  0.89  1.0

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