data_Nb8Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   93.25
_cell_angle_beta   93.25
_cell_angle_gamma   152.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb8Zn
_chemical_formula_sum   'Nb8 Zn1'
_cell_volume   159.77
_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  0.6  0.4  0.69  1.0
  Nb  Nb1  1  0.4  0.6  0.69  1.0
  Nb  Nb2  1  0.0  0.53  0.0  1.0
  Nb  Nb3  1  0.26  0.26  0.0  1.0
  Nb  Nb4  1  0.53  0.0  0.0  1.0
  Nb  Nb5  1  0.6  0.6  0.69  1.0
  Nb  Nb6  1  0.0  0.21  0.0  1.0
  Nb  Nb7  1  0.21  0.0  0.0  1.0
  Zn  Zn8  1  0.0  0.0  0.0  1.0

data_Nb8Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.37
_cell_length_b   13.76
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb8Zn
_chemical_formula_sum   'Nb16 Zn2'
_cell_volume   319.54
_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  4  -0.0  0.4  0.31  1.0
  Nb  Nb1  4  0.24  0.24  0.0  1.0
  Nb  Nb2  4  0.4  0.4  0.0  1.0
  Nb  Nb3  2  0.24  0.5  0.0  1.0
  Nb  Nb4  2  0.4  0.0  0.31  1.0
  Zn  Zn5  2  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Zn