data_TaCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.56
_cell_angle_alpha   92.5
_cell_angle_beta   92.5
_cell_angle_gamma   90.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdTe2
_chemical_formula_sum   'Ta1 Cd1 Te2'
_cell_volume   92.3
_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
  Ta  Ta1  1  0.59  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.69  0.19  0.78  1.0
  Te  Te3  1  0.69  0.81  0.78  1.0

data_TaCdTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.56
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaCdTe2
_chemical_formula_sum   'Ta1 Cd1 Te2'
_cell_volume   92.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.59  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Te  Te2  2  0.78  0.19  0.69  1.0

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