data_CdCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.16
_cell_angle_alpha   103.56
_cell_angle_beta   103.56
_cell_angle_gamma   58.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoTe2
_chemical_formula_sum   'Cd1 Co1 Te2'
_cell_volume   91.6
_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  0.49  0.0  0.45  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.36  0.0  0.61  1.0
  Te  Te3  1  0.61  0.0  0.28  1.0

data_CdCoTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.95
_cell_length_c   7.16
_cell_angle_alpha   103.56
_cell_angle_beta   90.0
_cell_angle_gamma   119.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoTe2
_chemical_formula_sum   'Cd1 Co1 Te2'
_cell_volume   91.6
_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  0.51  0.55  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.39  0.72  1.0
  Te  Te3  1  0.0  0.64  0.39  1.0

Cd Co Te Te
Cd Co Te Te 0 2 o o o 0 3 o o o 0 1 o o o 1 2 - o - 1 2 o o - 1 3 - o o 1 3 o o o 