data_TiCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   141.69
_cell_angle_beta   141.69
_cell_angle_gamma   55.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuTe2
_chemical_formula_sum   'Ti1 Cu1 Te2'
_cell_volume   83.71
_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  0.0  1.0
  Cu  Cu0  1  0.98  0.0  0.67  1.0
  Te  Te1  1  0.0  0.0  0.34  1.0
  Te  Te2  1  0.0  0.98  0.67  1.0

data_TiCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.03
_cell_angle_alpha   109.15
_cell_angle_beta   109.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuTe2
_chemical_formula_sum   'Ti1 Cu1 Te2'
_cell_volume   83.71
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.67  0.69  0.69  1.0
  Te  Te2  1  0.34  0.34  0.34  1.0
  Te  Te3  1  0.69  0.67  0.69  1.0

Ti Cu Te Te