data_NbZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   154.8
_cell_angle_beta   154.8
_cell_angle_gamma   35.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnIn
_chemical_formula_sum   'Nb1 Zn1 In1'
_cell_volume   56.06
_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  0.18  1.0
  Zn  Zn2  1  0.0  0.0  0.7  1.0
  In  In0  1  0.0  0.0  0.87  1.0

data_NbZnIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZnIn
_chemical_formula_sum   'Nb2 Zn2 In2'
_cell_volume   112.12
_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  0.18  0.0  0.18  1.0
  Zn  Zn1  2  0.2  0.5  0.7  1.0
  In  In2  2  0.37  0.5  0.87  1.0

Nb Zn In