data_ZrTiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   3.86
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTe4
_chemical_formula_sum   'Zr1 Ti1 Te4'
_cell_volume   177.2
_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
  Zr  Zr5  1  0.35  0.93  0.0  1.0
  Ti  Ti4  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.04  0.93  0.74  1.0
  Te  Te1  1  0.15  0.0  0.05  1.0
  Te  Te2  1  0.54  0.0  0.81  1.0
  Te  Te3  1  0.65  0.93  0.12  1.0

data_ZrTiTe4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   6.69
_cell_length_c   6.86
_cell_angle_alpha   90.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTe4
_chemical_formula_sum   'Zr1 Ti1 Te4'
_cell_volume   177.2
_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
  Zr  Zr0  1  0.07  0.65  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.46  0.19  1.0
  Te  Te3  1  0.0  0.85  0.95  1.0
  Te  Te4  1  0.07  0.35  0.88  1.0
  Te  Te5  1  0.07  0.96  0.26  1.0

Zr Ti Te Te Te Te