data_Zr2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.5
_cell_angle_alpha   99.72
_cell_angle_beta   99.72
_cell_angle_gamma   33.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbIn
_chemical_formula_sum   'Zr2 Nb1 In1'
_cell_volume   88.83
_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
  Zr  Zr2  1  0.54  0.0  0.35  1.0
  Zr  Zr3  1  0.87  0.0  0.06  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.71  0.0  0.7  1.0

data_Zr2NbIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.43
_cell_length_c   5.5
_cell_angle_alpha   99.72
_cell_angle_beta   90.0
_cell_angle_gamma   106.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbIn
_chemical_formula_sum   'Zr2 Nb1 In1'
_cell_volume   88.83
_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
  Zr  Zr0  1  0.0  0.13  0.94  1.0
  Zr  Zr1  1  0.0  0.46  0.65  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.29  0.3  1.0

Zr Zr Nb In