data_MnBeOs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeOs4
_chemical_formula_sum   'Mn1 Be1 Os4'
_cell_volume   91.06
_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  0.79  0.79  0.79  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.68  0.68  0.46  1.0
  Os  Os3  1  0.68  0.46  0.68  1.0
  Os  Os4  1  0.46  0.68  0.68  1.0
  Os  Os5  1  0.46  0.46  0.46  1.0

data_MnBeOs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnBeOs4
_chemical_formula_sum   'Mn3 Be3 Os12'
_cell_volume   273.19
_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  0.21  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Os  Os2  9  0.14  0.07  0.39  1.0
  Os  Os3  3  0.0  0.0  0.54  1.0

Mn Be Os Os Os Os
BeMnOs4 crystallizes in the trigonal R3m space group. Be(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and three equivalent Os(1) atoms. The Be(1)-Mn(1) bond length is 2.65 Å. All Be(1)-Os(1) bond lengths are 2.41 Å. Mn(1) is bonded in a 10-coordinate geometry to one Be(1), three equivalent Os(2), and six equivalent Os(1) atoms. All Mn(1)-Os(2) bond lengths are 2.92 Å. There are three shorter (2.30 Å) and three longer (2.98 Å) Mn(1)-Os(1) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Os(1) atoms. All Os(2)-Os(1) bond lengths are 1.87 Å. In the second Os site, Os(1) is bonded in a 6-coordinate geometry to one Be(1), two equivalent Mn(1), one Os(2), and two equivalent Os(1) atoms. Both Os(1)-Os(1) bond lengths are 1.08 Å.