data_Mg3MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3MnCr
_chemical_formula_sum   'Mg3 Mn1 Cr1'
_cell_volume   126.37
_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  0.51  0.0  0.51  1.0
  Mg  Mg2  1  0.51  0.51  0.0  1.0
  Mg  Mg3  1  0.0  0.51  0.51  1.0
  Mn  Mn4  1  0.51  0.51  0.51  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Mg3MnCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg3MnCr
_chemical_formula_sum   'Mg9 Mn3 Cr3'
_cell_volume   379.11
_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
  Mg  Mg0  9  0.17  0.34  0.34  1.0
  Mn  Mn1  3  0.0  0.0  0.51  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0

Mg Mg Mg Mn Cr
Mg Mg Mg Mn Cr 0 3 o - o 0 3 o o o 0 4 + o + 0 4 + o o 0 4 o o + 0 4 o o o 1 3 o o - 1 3 o o o 1 4 + + o 1 4 + o o 1 4 o + o 1 4 o o o 2 3 - o o 2 3 o o o 2 4 o + + 2 4 o + o 2 4 o o + 2 4 o o o 
Mg3CrMn is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a linear geometry to four equivalent Cr(1) and two equivalent Mn(1) atoms. There are a spread of Mg(1)-Cr(1) bond distances ranging from 3.48-3.61 Å. There is one shorter (2.46 Å) and one longer (2.55 Å) Mg(1)-Mn(1) bond length. Cr(1) is bonded in a 12-coordinate geometry to twelve equivalent Mg(1) atoms. Mn(1) is bonded to six equivalent Mg(1) atoms to form corner-sharing MnMg6 octahedra. The corner-sharing octahedra are not tilted.