data_TaCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   3.14
_cell_angle_alpha   97.96
_cell_angle_beta   97.96
_cell_angle_gamma   123.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Te
_chemical_formula_sum   'Ta1 Cd2 Te1'
_cell_volume   88.22
_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
  Ta  Ta2  1  0.82  0.0  0.0  1.0
  Cd  Cd0  1  0.96  0.6  0.5  1.0
  Cd  Cd1  1  0.96  0.4  0.5  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_TaCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.61
_cell_length_c   5.92
_cell_angle_alpha   113.74
_cell_angle_beta   97.96
_cell_angle_gamma   105.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Te
_chemical_formula_sum   'Ta1 Cd2 Te1'
_cell_volume   88.22
_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
  Ta  Ta0  1  0.0  0.0  0.82  1.0
  Cd  Cd1  1  0.1  0.6  0.56  1.0
  Cd  Cd2  1  0.9  0.4  0.35  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ta Cd Cd Te
Ta Cd Cd Te 0 3 + o o 1 2 o o o 