data_MgCrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.27
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrNi2
_chemical_formula_sum   'Mg1 Cr1 Ni2'
_cell_volume   51.78
_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  Mg1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.85  0.0  0.85  1.0
  Ni  Ni2  1  0.3  0.63  0.56  1.0
  Ni  Ni3  1  0.19  0.63  0.13  1.0

data_MgCrNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.27
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrNi2
_chemical_formula_sum   'Mg1 Cr1 Ni2'
_cell_volume   51.78
_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  0.85  0.0  0.85  1.0
  Ni  Ni2  1  0.19  0.63  0.13  1.0
  Ni  Ni3  1  0.3  0.63  0.56  1.0

Mg Cr Ni Ni
MgCrNi2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Ni(2) atom. The Mg(1)-Cr(1) bond length is 0.95 Å. The Mg(1)-Ni(2) bond length is 1.48 Å. Cr(1) is bonded in a single-bond geometry to one Mg(1) and four equivalent Ni(1) atoms. There are a spread of Cr(1)-Ni(1) bond distances ranging from 2.41-3.00 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to four equivalent Cr(1), one Ni(2), and two equivalent Ni(1) atoms. The Ni(1)-Ni(2) bond length is 2.48 Å. Both Ni(1)-Ni(1) bond lengths are 2.79 Å. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Mg(1) and one Ni(1) atom.