data_NaNb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29
_cell_length_b   10.29
_cell_length_c   10.29
_cell_angle_alpha   16.56
_cell_angle_beta   16.56
_cell_angle_gamma   16.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cl
_chemical_formula_sum   'Na1 Nb2 Cl1'
_cell_volume   77.27
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.26  1.0
  Nb  Nb3  1  0.0  0.0  0.2  1.0
  Cl  Cl0  1  0.0  0.0  0.23  1.0

data_NaNb2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.96
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   99.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNb2Cl
_chemical_formula_sum   'Na2 Nb4 Cl2'
_cell_volume   154.55
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.74  1.0
  Nb  Nb2  2  0.0  0.0  0.8  1.0
  Cl  Cl3  2  0.0  0.0  0.77  1.0

Na Nb Nb Cl