data_CdFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeTe2
_chemical_formula_sum   'Cd1 Fe1 Te2'
_cell_volume   92.59
_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  0.56  0.56  0.36  1.0
  Fe  Fe1  1  0.0  0.0  0.22  1.0
  Te  Te2  1  0.56  0.56  0.58  1.0
  Te  Te3  1  0.0  0.0  0.57  1.0

data_CdFeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdFeTe2
_chemical_formula_sum   'Cd2 Fe2 Te4'
_cell_volume   185.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.06  0.5  0.36  1.0
  Fe  Fe1  2  0.0  0.0  0.22  1.0
  Te  Te2  2  0.0  0.0  0.57  1.0
  Te  Te3  2  0.06  0.5  0.58  1.0

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