data_ErInNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErInNi4
_chemical_formula_sum   'Er1 In1 Ni4'
_cell_volume   85.99
_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
  Er  Er0  1  0.75  0.75  0.75  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.38  0.38  0.38  1.0
  Ni  Ni3  1  0.62  0.62  0.38  1.0
  Ni  Ni4  1  0.62  0.38  0.62  1.0
  Ni  Ni5  1  0.38  0.62  0.62  1.0

data_ErInNi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ErInNi4
_chemical_formula_sum   'Er3 In3 Ni12'
_cell_volume   257.96
_cell_formula_units_Z   3
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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Er  Er0  3  0.0  0.0  0.25  1.0
  In  In1  3  0.0  0.0  -0.0  1.0
  Ni  Ni2  9  0.16  0.08  0.46  1.0
  Ni  Ni3  3  0.0  0.0  0.62  1.0

Er In Ni Ni Ni Ni
ErNi4In crystallizes in the trigonal R3m space group. Er(1) is bonded in a 13-coordinate geometry to three equivalent Ni(1), six equivalent Ni(2), and four equivalent In(1) atoms. All Er(1)-Ni(1) bond lengths are 2.89 Å. There are three shorter (2.62 Å) and three longer (2.65 Å) Er(1)-Ni(2) bond lengths. There is one shorter (3.01 Å) and three longer (3.04 Å) Er(1)-In(1) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Er(1), three equivalent Ni(2), and three equivalent In(1) atoms. All Ni(1)-Ni(2) bond lengths are 2.08 Å. All Ni(1)-In(1) bond lengths are 2.92 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent Er(1), one Ni(1), two equivalent Ni(2), and one In(1) atom. Both Ni(2)-Ni(2) bond lengths are 1.20 Å. The Ni(2)-In(1) bond length is 2.63 Å. In(1) is bonded in a 10-coordinate geometry to four equivalent Er(1), three equivalent Ni(1), and three equivalent Ni(2) atoms.