data_NbZn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.09
_cell_angle_alpha   102.88
_cell_angle_beta   102.88
_cell_angle_gamma   33.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2In
_chemical_formula_sum   'Nb1 Zn2 In1'
_cell_volume   73.47
_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  0.0  1.0
  Zn  Zn2  1  0.1  0.0  0.05  1.0
  Zn  Zn3  1  0.62  0.0  0.9  1.0
  In  In0  1  0.36  0.0  0.48  1.0

data_NbZn2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.09
_cell_length_c   5.17
_cell_angle_alpha   102.88
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2In
_chemical_formula_sum   'Nb1 Zn2 In1'
_cell_volume   73.47
_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  0.0  1.0
  Zn  Zn1  1  0.0  0.05  0.1  1.0
  Zn  Zn2  1  0.0  0.9  0.62  1.0
  In  In3  1  0.0  0.48  0.36  1.0

Nb Zn Zn In