data_NbTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   155.82
_cell_angle_beta   141.41
_cell_angle_gamma   46.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTeCl2
_chemical_formula_sum   'Nb1 Te1 Cl2'
_cell_volume   100.87
_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
  Nb  Nb2  1  0.0  0.0  0.67  1.0
  Te  Te3  1  0.0  0.43  0.29  1.0
  Cl  Cl0  1  0.0  0.0  0.36  1.0
  Cl  Cl1  1  0.54  0.0  0.71  1.0

data_NbTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.85
_cell_length_c   7.34
_cell_angle_alpha   109.29
_cell_angle_beta   102.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTeCl2
_chemical_formula_sum   'Nb1 Te1 Cl2'
_cell_volume   100.87
_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
  Nb  Nb0  1  0.33  0.33  0.33  1.0
  Te  Te1  1  0.71  0.14  0.14  1.0
  Cl  Cl2  1  0.64  0.64  0.64  1.0
  Cl  Cl3  1  0.82  0.29  0.82  1.0

Nb Te Cl Cl