data_CoCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   135.94
_cell_angle_beta   110.95
_cell_angle_gamma   85.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuTe2
_chemical_formula_sum   'Co1 Cu1 Te2'
_cell_volume   80.47
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.71  1.0
  Te  Te2  1  0.0  0.86  0.99  1.0
  Te  Te3  1  0.9  0.0  0.72  1.0

data_CoCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   69.05
_cell_angle_beta   67.97
_cell_angle_gamma   67.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuTe2
_chemical_formula_sum   'Co1 Cu1 Te2'
_cell_volume   80.47
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  -0.0  0.71  1.0
  Te  Te2  1  0.0  0.1  0.72  1.0
  Te  Te3  1  0.86  0.0  0.12  1.0

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