data_TiZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   134.79
_cell_angle_beta   119.46
_cell_angle_gamma   78.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnTe2
_chemical_formula_sum   'Ti1 Zn1 Te2'
_cell_volume   87.05
_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  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.07  1.0
  Te  Te0  1  0.02  0.0  0.22  1.0
  Te  Te1  1  0.0  0.65  0.84  1.0

data_TiZnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.54
_cell_angle_beta   67.4
_cell_angle_gamma   67.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnTe2
_chemical_formula_sum   'Ti1 Zn1 Te2'
_cell_volume   87.05
_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
  Zn  Zn1  1  0.0  0.0  0.07  1.0
  Te  Te2  1  0.0  0.98  0.22  1.0
  Te  Te3  1  0.65  0.0  0.19  1.0

Ti Zn Te Te