data_NbZnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.18
_cell_length_c   3.02
_cell_angle_alpha   82.3
_cell_angle_beta   73.86
_cell_angle_gamma   23.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnCl
_chemical_formula_sum   'Nb1 Zn1 Cl1'
_cell_volume   59.37
_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  Nb1  1  0.71  0.5  0.71  1.0
  Zn  Zn2  1  0.71  0.5  0.65  1.0
  Cl  Cl0  1  0.71  0.5  0.55  1.0

data_NbZnCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.41
_cell_length_b   13.95
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   124.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZnCl
_chemical_formula_sum   'Nb2 Zn2 Cl2'
_cell_volume   118.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.5  0.0  0.59  1.0
  Zn  Zn1  2  0.5  0.0  0.65  1.0
  Cl  Cl2  2  0.5  0.0  0.75  1.0

Nb Zn Cl