data_NiTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.42
_cell_angle_alpha   112.01
_cell_angle_beta   112.01
_cell_angle_gamma   28.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeCl2
_chemical_formula_sum   'Ni1 Te1 Cl2'
_cell_volume   104.13
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.6  0.0  0.96  1.0
  Cl  Cl0  1  0.95  0.0  0.14  1.0
  Cl  Cl1  1  0.25  0.0  0.78  1.0

data_NiTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   6.03
_cell_length_c   6.42
_cell_angle_alpha   112.01
_cell_angle_beta   90.0
_cell_angle_gamma   104.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeCl2
_chemical_formula_sum   'Ni1 Te1 Cl2'
_cell_volume   104.13
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.4  0.04  1.0
  Cl  Cl2  1  0.0  0.05  0.86  1.0
  Cl  Cl3  1  0.0  0.75  0.22  1.0

Ni Te Cl Cl