data_MnCrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   3.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrSi
_chemical_formula_sum   'Mn1 Cr1 Si1'
_cell_volume   39.47
_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
  Mn  Mn1  1  0.35  0.35  0.35  1.0
  Cr  Cr0  1  0.7  0.7  0.7  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_MnCrSi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnCrSi
_chemical_formula_sum   'Mn3 Cr3 Si3'
_cell_volume   118.42
_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
  Mn  Mn0  3  0.0  0.0  0.65  1.0
  Cr  Cr1  3  0.0  0.0  0.3  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0

Mn Cr Si
CrMnSi crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent Mn(1) and four equivalent Si(1) atoms to form distorted CrMn3Si4 hexagonal pyramids that share corners with three equivalent Si(1)Mn3Cr4 hexagonal pyramids, corners with six equivalent Cr(1)Mn3Si4 hexagonal pyramids, edges with three equivalent Si(1)Mn3Cr4 hexagonal pyramids, and edges with six equivalent Cr(1)Mn3Si4 hexagonal pyramids. All Cr(1)-Mn(1) bond lengths are 2.21 Å. There are three shorter (2.23 Å) and one longer (2.79 Å) Cr(1)-Si(1) bond length. Mn(1) is bonded in a distorted hexagonal planar geometry to three equivalent Cr(1) and three equivalent Si(1) atoms. All Mn(1)-Si(1) bond lengths are 2.21 Å. Si(1) is bonded to four equivalent Cr(1) and three equivalent Mn(1) atoms to form distorted SiMn3Cr4 hexagonal pyramids that share corners with three equivalent Cr(1)Mn3Si4 hexagonal pyramids, corners with six equivalent Si(1)Mn3Cr4 hexagonal pyramids, edges with three equivalent Cr(1)Mn3Si4 hexagonal pyramids, and edges with six equivalent Si(1)Mn3Cr4 hexagonal pyramids.