data_ZrTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   153.3
_cell_angle_beta   132.03
_cell_angle_gamma   55.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeCl2
_chemical_formula_sum   'Zr1 Te1 Cl2'
_cell_volume   109.87
_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  Zr3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.12  1.0
  Cl  Cl0  1  0.6  0.0  0.03  1.0
  Cl  Cl1  1  0.0  0.81  0.08  1.0

data_ZrTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.62
_cell_length_c   6.92
_cell_angle_alpha   113.98
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeCl2
_chemical_formula_sum   'Zr1 Te1 Cl2'
_cell_volume   109.87
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.88  0.88  0.88  1.0
  Cl  Cl2  1  0.56  0.97  0.56  1.0
  Cl  Cl3  1  0.92  0.73  0.73  1.0

Zr Te Cl Cl