data_MnBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   3.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeCr2
_chemical_formula_sum   'Mn1 Be1 Cr2'
_cell_volume   42.24
_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  Mn3  1  0.76  0.76  0.76  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.15  0.15  0.15  1.0
  Cr  Cr2  1  0.38  0.38  0.38  1.0

data_MnBeCr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnBeCr2
_chemical_formula_sum   'Mn3 Be3 Cr6'
_cell_volume   126.73
_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  0.24  1.0
  Be  Be1  3  0.0  0.0  -0.0  1.0
  Cr  Cr2  3  0.0  0.0  0.62  1.0
  Cr  Cr3  3  0.0  0.0  0.85  1.0

Mn Be Cr Cr
Mn Be Cr Cr 0 1 + o + 0 1 o + + 0 1 + + o 0 1 + + + 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o o 2 3 o o - 2 3 - o o 2 3 o - o 
BeCr2Mn crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one Cr(1), three equivalent Cr(2), and four equivalent Mn(1) atoms. The Be(1)-Cr(1) bond length is 1.40 Å. All Be(1)-Cr(2) bond lengths are 2.30 Å. There is one shorter (2.26 Å) and three longer (2.44 Å) Be(1)-Mn(1) bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Be(1), one Cr(2), and three equivalent Mn(1) atoms. The Cr(1)-Cr(2) bond length is 2.26 Å. All Cr(1)-Mn(1) bond lengths are 2.30 Å. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to three equivalent Be(1), one Cr(1), and three equivalent Mn(1) atoms. All Cr(2)-Mn(1) bond lengths are 2.30 Å. Mn(1) is bonded in a 10-coordinate geometry to four equivalent Be(1), three equivalent Cr(1), and three equivalent Cr(2) atoms.