data_TiCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   34.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuTe2
_chemical_formula_sum   'Ti1 Cu1 Te2'
_cell_volume   86.18
_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
  Ti  Ti3  1  0.0  0.0  0.27  1.0
  Cu  Cu0  1  0.93  0.0  0.34  1.0
  Te  Te1  1  0.0  0.0  0.34  1.0
  Te  Te2  1  0.93  0.0  0.12  1.0

data_TiCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.86
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuTe2
_chemical_formula_sum   'Ti1 Cu1 Te2'
_cell_volume   86.18
_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
  Ti  Ti0  1  0.73  0.0  0.73  1.0
  Cu  Cu1  1  0.66  0.93  0.66  1.0
  Te  Te2  1  0.66  0.0  0.66  1.0
  Te  Te3  1  0.88  0.93  0.88  1.0

Ti Cu Te Te