data_YIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   6.54
_cell_angle_alpha   107.15
_cell_angle_beta   107.15
_cell_angle_gamma   46.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2
_chemical_formula_sum   'Y2 In4'
_cell_volume   155.08
_cell_formula_units_Z   2
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  Y4  1  0.37  0.0  0.95  1.0
  Y  Y5  1  0.34  0.0  0.24  1.0
  In  In0  1  0.54  0.0  0.11  1.0
  In  In1  1  0.17  0.0  0.08  1.0
  In  In2  1  0.95  0.0  0.1  1.0
  In  In3  1  0.0  0.0  0.0  1.0

data_YIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   5.88
_cell_length_c   6.54
_cell_angle_alpha   107.15
_cell_angle_beta   90.0
_cell_angle_gamma   113.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2
_chemical_formula_sum   'Y2 In4'
_cell_volume   155.08
_cell_formula_units_Z   2
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  0.63  0.05  1.0
  Y  Y1  1  0.0  0.66  0.76  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.05  0.9  1.0
  In  In4  1  0.0  0.46  0.89  1.0
  In  In5  1  0.0  0.83  0.92  1.0

Y Y In In In In
Y Y In In In In 0 2 o o + 1 3 o o o 3 5 o o o 4 5 + o o 