data_ZrTiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   3.87
_cell_length_c   26.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTe4
_chemical_formula_sum   'Zr1 Ti1 Te4'
_cell_volume   700.7
_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  0.52  0.89  0.13  1.0
  Ti  Ti1  1  0.02  0.39  0.13  1.0
  Te  Te2  1  0.17  0.89  0.19  1.0
  Te  Te3  1  0.69  0.39  0.2  1.0
  Te  Te4  1  0.34  0.39  0.06  1.0
  Te  Te5  1  0.86  0.89  0.06  1.0

Zr Ti Te Te Te Te 0 4 o o o 0 4 o + o 0 2 o o o 0 3 o o o 0 3 o + o 0 5 o o o 1 5 - - o 1 5 - o o 1 3 - o o 1 2 o - o 1 2 o o o 1 4 o o o 
data_ZrTiTe4
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   6.72
_cell_length_b   3.87
_cell_length_c   26.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   ZrTiTe4
_chemical_formula_sum   'Zr1 Ti1 Te4'
_cell_volume   700.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  0.5  0.5  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Te  Te2  2  0.16  0.5  0.06  1.0
  Te  Te3  2  0.32  0.0  0.93  1.0
