data_NbZn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   136.77
_cell_angle_beta   136.77
_cell_angle_gamma   62.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Sn
_chemical_formula_sum   'Nb1 Zn2 Sn1'
_cell_volume   69.78
_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  0.0  0.0  0.54  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.96  0.0  0.27  1.0
  Sn  Sn1  1  0.0  0.96  0.27  1.0

data_NbZn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.32
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Sn
_chemical_formula_sum   'Nb1 Zn2 Sn1'
_cell_volume   69.78
_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  0.54  0.54  0.54  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.27  0.31  0.31  1.0
  Sn  Sn3  1  0.31  0.27  0.31  1.0

Nb Zn Zn Sn