data_YNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   133.15
_cell_angle_beta   133.15
_cell_angle_gamma   68.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2In
_chemical_formula_sum   'Y1 Nb2 In1'
_cell_volume   89.01
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.2  0.29  1.0
  Nb  Nb2  1  0.2  0.0  0.29  1.0
  In  In0  1  0.0  0.0  0.58  1.0

data_YNb2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   124.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YNb2In
_chemical_formula_sum   'Y2 Nb4 In2'
_cell_volume   178.03
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.4  0.4  0.09  1.0
  In  In2  2  0.0  0.0  0.58  1.0

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