data_YIn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   12.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Ni
_chemical_formula_sum   'Y2 In4 Ni2'
_cell_volume   190.75
_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  Y6  1  0.71  0.09  0.39  1.0
  Y  Y7  1  0.71  0.91  0.13  1.0
  In  In0  1  0.71  0.43  0.86  1.0
  In  In1  1  0.71  0.57  0.6  1.0
  In  In2  1  0.71  0.43  0.91  1.0
  In  In3  1  0.71  0.57  0.66  1.0
  Ni  Ni4  1  0.71  0.89  0.39  1.0
  Ni  Ni5  1  0.71  0.11  0.13  1.0

data_YIn2Ni
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   12.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   YIn2Ni
_chemical_formula_sum   'Y2 In4 Ni2'
_cell_volume   190.87
_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, y, -z'
  4  '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  2  0.09  0.0  0.13  1.0
  In  In1  2  0.43  0.0  0.6  1.0
  In  In2  2  0.43  0.0  0.66  1.0
  Ni  Ni3  2  0.11  0.0  0.87  1.0

Y Y In In In In Ni Ni
Y Y In In In In Ni Ni 0 6 o - o 1 7 o + o 2 4 o o o 3 5 o o o 