data_YIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   7.65
_cell_angle_alpha   104.99
_cell_angle_beta   104.99
_cell_angle_gamma   32.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn5
_chemical_formula_sum   'Y1 In5'
_cell_volume   160.22
_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  Y5  1  0.85  0.0  0.94  1.0
  In  In0  1  0.02  0.0  0.01  1.0
  In  In1  1  0.46  0.0  0.52  1.0
  In  In2  1  0.69  0.0  0.96  1.0
  In  In3  1  0.11  0.0  0.06  1.0
  In  In4  1  0.41  0.0  0.39  1.0

data_YIn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   6.34
_cell_length_c   7.65
_cell_angle_alpha   104.99
_cell_angle_beta   90.0
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn5
_chemical_formula_sum   'Y1 In5'
_cell_volume   160.22
_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  0.15  0.06  1.0
  In  In1  1  0.0  0.31  0.04  1.0
  In  In2  1  0.0  0.54  0.48  1.0
  In  In3  1  0.0  0.59  0.61  1.0
  In  In4  1  0.0  0.89  0.94  1.0
  In  In5  1  0.0  0.98  0.99  1.0

Y In In In In In