data_Nb2ZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnSn
_chemical_formula_sum   'Nb2 Zn1 Sn1'
_cell_volume   77.31
_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  0.45  0.45  0.11  1.0
  Nb  Nb1  1  0.0  0.0  0.22  1.0
  Zn  Zn3  1  0.0  0.0  0.12  1.0
  Sn  Sn2  1  0.45  0.45  0.56  1.0

data_Nb2ZnSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2ZnSn
_chemical_formula_sum   'Nb4 Zn2 Sn2'
_cell_volume   154.62
_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  0.22  1.0
  Nb  Nb1  2  0.45  0.0  0.11  1.0
  Zn  Zn2  2  0.0  0.0  0.12  1.0
  Sn  Sn3  2  0.45  0.0  0.56  1.0

Nb Nb Zn Sn