data_ZrTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   7.32
_cell_angle_alpha   106.04
_cell_angle_beta   106.04
_cell_angle_gamma   32.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2
_chemical_formula_sum   'Zr2 Te4'
_cell_volume   159.67
_cell_formula_units_Z   2
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  Zr4  1  0.7  0.0  0.27  1.0
  Zr  Zr5  1  0.62  0.0  0.74  1.0
  Te  Te0  1  0.57  0.0  0.5  1.0
  Te  Te1  1  0.75  0.0  0.51  1.0
  Te  Te2  1  0.53  0.0  0.98  1.0
  Te  Te3  1  0.79  0.0  0.04  1.0

data_ZrTe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.66
_cell_length_b   6.48
_cell_length_c   7.32
_cell_angle_alpha   106.04
_cell_angle_beta   90.0
_cell_angle_gamma   106.42
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrTe2
_chemical_formula_sum   'Zr2 Te4'
_cell_volume   159.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.04  0.77  1.0
  Te  Te1  2  0.0  0.09  0.01  1.0
  Te  Te2  2  0.0  0.13  0.53  1.0

Zr Zr Te Te Te Te
Zr Zr Te Te Te Te 0 4 o o - 0 2 o o o 0 5 o o o 0 3 o o o 1 2 o o o 1 4 o o o 1 3 o o o 1 5 o o + 2 3 o o o 4 5 o o + 