data_NaMg2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   5.07
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Cr
_chemical_formula_sum   'Na1 Mg2 Cr1'
_cell_volume   76.99
_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
  Na  Na3  1  0.07  0.0  0.47  1.0
  Mg  Mg1  1  0.45  0.0  1.0  1.0
  Mg  Mg2  1  0.44  0.53  0.55  1.0
  Cr  Cr0  1  1.0  0.53  0.38  1.0

data_NaMg2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.07
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Cr
_chemical_formula_sum   'Na1 Mg2 Cr1'
_cell_volume   76.99
_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
  Na  Na0  1  0.07  0.0  0.47  1.0
  Mg  Mg1  1  0.44  0.53  0.55  1.0
  Mg  Mg2  1  0.45  0.0  1.0  1.0
  Cr  Cr3  1  1.0  0.53  0.38  1.0

Na Mg Mg Cr
NaMg2Cr crystallizes in the triclinic P1 space group. Na(1) is bonded in a 12-coordinate geometry to two equivalent Na(1), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cr(1) atoms. Both Na(1)-Na(1) bond lengths are 2.83 Å. There are a spread of Na(1)-Mg(1) bond distances ranging from 2.74-3.36 Å. There are a spread of Na(1)-Mg(2) bond distances ranging from 2.62-3.26 Å. There is one shorter (2.41 Å) and one longer (2.76 Å) Na(1)-Cr(1) bond length. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to four equivalent Na(1), one Mg(2), two equivalent Mg(1), and two equivalent Cr(1) atoms. The Mg(1)-Mg(2) bond length is 3.38 Å. Both Mg(1)-Mg(1) bond lengths are 2.83 Å. There is one shorter (3.38 Å) and one longer (3.48 Å) Mg(1)-Cr(1) bond length. In the second Mg site, Mg(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Na(1), one Mg(1), and two equivalent Cr(1) atoms. There is one shorter (1.54 Å) and one longer (1.80 Å) Mg(2)-Cr(1) bond length. Cr(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and two equivalent Mg(2) atoms.