data_InNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi4
_chemical_formula_sum   'In4 Ni16'
_cell_volume   270.82
_cell_formula_units_Z   4
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
  In  In0  1  0.75  0.75  0.75  1.0
  In  In1  1  0.68  0.32  0.32  1.0
  In  In2  1  0.32  0.68  0.32  1.0
  In  In3  1  0.32  0.32  0.68  1.0
  Ni  Ni4  1  0.22  0.22  0.22  1.0
  Ni  Ni5  1  0.14  0.86  0.86  1.0
  Ni  Ni6  1  0.86  0.14  0.86  1.0
  Ni  Ni7  1  0.86  0.86  0.14  1.0
  Ni  Ni8  1  0.0  0.0  0.3  1.0
  Ni  Ni9  1  0.0  0.0  0.86  1.0
  Ni  Ni10  1  0.0  0.3  0.0  1.0
  Ni  Ni11  1  0.0  0.86  0.0  1.0
  Ni  Ni12  1  0.3  0.0  0.0  1.0
  Ni  Ni13  1  0.86  0.0  0.0  1.0
  Ni  Ni14  1  0.08  0.0  0.04  1.0
  Ni  Ni15  1  0.0  0.08  0.04  1.0
  Ni  Ni16  1  0.0  0.04  0.08  1.0
  Ni  Ni17  1  0.08  0.04  0.0  1.0
  Ni  Ni18  1  0.04  0.08  0.0  1.0
  Ni  Ni19  1  0.04  0.0  0.08  1.0

data_InNi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.53
_cell_length_b   11.53
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InNi4
_chemical_formula_sum   'In12 Ni48'
_cell_volume   812.47
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  In  In0  9  0.22  0.43  0.11  1.0
  In  In1  3  0.0  0.0  0.75  1.0
  Ni  Ni2  18  0.0  0.04  0.04  1.0
  Ni  Ni3  9  0.05  0.1  0.95  1.0
  Ni  Ni4  9  0.19  0.1  0.95  1.0
  Ni  Ni5  9  0.2  0.1  0.1  1.0
  Ni  Ni6  3  0.0  0.0  0.22  1.0

In In In In Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni