data_MgCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   136.38
_cell_angle_beta   136.38
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrIn2
_chemical_formula_sum   'Mg1 Cr1 In2'
_cell_volume   75.54
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.02  0.0  0.31  1.0
  In  In1  1  0.0  0.0  0.63  1.0
  In  In2  1  0.0  0.02  0.31  1.0

data_MgCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.44
_cell_angle_alpha   111.81
_cell_angle_beta   111.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrIn2
_chemical_formula_sum   'Mg1 Cr1 In2'
_cell_volume   75.54
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.69  0.0  0.71  1.0
  In  In2  1  0.37  0.0  0.37  1.0
  In  In3  1  0.71  0.02  0.71  1.0

Mg Cr In In
MgCrIn2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgCrIn2 cluster. Mg(1) is bonded in a 3-coordinate geometry to one Cr(1), one In(1), and one In(2) atom. The Mg(1)-Cr(1) bond length is 1.63 Å. The Mg(1)-In(1) bond length is 2.03 Å. The Mg(1)-In(2) bond length is 1.63 Å. Cr(1) is bonded in a single-bond geometry to one Mg(1) and one In(2) atom. The Cr(1)-In(2) bond length is 0.12 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second In site, In(2) is bonded in a single-bond geometry to one Mg(1) and one Cr(1) atom.