data_CrIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn3
_chemical_formula_sum   'Cr1 In3'
_cell_volume   90.41
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.52  0.2  0.69  1.0
  In  In2  1  0.52  0.8  0.69  1.0
  In  In3  1  0.03  0.0  0.0  1.0

data_CrIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   110.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIn3
_chemical_formula_sum   'Cr1 In3'
_cell_volume   90.41
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  -0.0  0.03  0.0  1.0
  In  In2  1  0.69  0.52  0.2  1.0
  In  In3  1  0.69  0.52  0.8  1.0

Cr In In In
CrIn3 crystallizes in the triclinic P1 space group. Cr(1) is bonded in a single-bond geometry to one In(1), one In(2), and one In(3) atom. The Cr(1)-In(1) bond length is 3.31 Å. The Cr(1)-In(2) bond length is 2.64 Å. The Cr(1)-In(3) bond length is 0.16 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Cr(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. Both In(1)-In(1) bond lengths are 3.39 Å. There is one shorter (2.15 Å) and one longer (3.19 Å) In(1)-In(2) bond length. There is one shorter (2.64 Å) and one longer (3.38 Å) In(1)-In(3) bond length. In the second In site, In(2) is bonded in a distorted L-shaped geometry to one Cr(1) and two equivalent In(1) atoms. In the third In site, In(3) is bonded in a single-bond geometry to one Cr(1) and two equivalent In(1) atoms.