data_NbZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   8.52
_cell_angle_alpha   21.12
_cell_angle_beta   21.12
_cell_angle_gamma   21.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Cl
_chemical_formula_sum   'Nb1 Zn2 Cl1'
_cell_volume   70.25
_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  0.0  0.0  0.49  1.0
  Zn  Zn2  1  0.0  0.0  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NbZn2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.12
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZn2Cl
_chemical_formula_sum   'Nb2 Zn4 Cl2'
_cell_volume   140.51
_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  0.0  0.0  0.51  1.0
  Zn  Zn1  2  0.0  0.0  0.35  1.0
  Zn  Zn2  2  0.0  0.0  0.68  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Nb Zn Zn Cl