data_YNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.74
_cell_angle_alpha   96.08
_cell_angle_beta   96.08
_cell_angle_gamma   34.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2In
_chemical_formula_sum   'Y1 Nb2 In1'
_cell_volume   87.5
_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
  Y  Y3  1  0.59  0.0  0.86  1.0
  Nb  Nb1  1  0.44  0.0  0.62  1.0
  Nb  Nb2  1  0.05  0.0  0.44  1.0
  In  In0  1  0.26  0.0  0.34  1.0

data_YNb2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.21
_cell_length_c   5.74
_cell_angle_alpha   96.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2In
_chemical_formula_sum   'Y1 Nb2 In1'
_cell_volume   87.5
_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
  Y  Y0  1  0.0  0.41  0.14  1.0
  Nb  Nb1  1  0.0  0.56  0.38  1.0
  Nb  Nb2  1  0.0  0.95  0.56  1.0
  In  In3  1  0.0  0.74  0.66  1.0

Y Nb Nb In
Y Nb Nb In 0 1 o o o 1 3 o o o 2 3 o o o 