data_BeCrFeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrFeOs
_chemical_formula_sum   'Be1 Cr1 Fe1 Os1'
_cell_volume   44.86
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.82  0.82  0.82  1.0
  Fe  Fe2  1  0.41  0.41  0.41  1.0
  Os  Os3  1  0.23  0.23  0.23  1.0

data_BeCrFeOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeCrFeOs
_chemical_formula_sum   'Be3 Cr3 Fe3 Os3'
_cell_volume   134.57
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.18  1.0
  Fe  Fe2  3  0.0  0.0  0.59  1.0
  Os  Os3  3  0.0  0.0  0.77  1.0

Be Cr Fe Os
BeCrOsFe crystallizes in the trigonal R3m space group. Be(1) is bonded in a 2-coordinate geometry to one Cr(1) and four equivalent Os(1) atoms. The Be(1)-Cr(1) bond length is 1.76 Å. There is one shorter (2.25 Å) and three longer (2.51 Å) Be(1)-Os(1) bond lengths. Cr(1) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Os(1), and three equivalent Fe(1) atoms. All Cr(1)-Os(1) bond lengths are 2.42 Å. All Cr(1)-Fe(1) bond lengths are 2.42 Å. Os(1) is bonded in a 11-coordinate geometry to four equivalent Be(1), three equivalent Cr(1), and four equivalent Fe(1) atoms. There is one shorter (1.76 Å) and three longer (2.75 Å) Os(1)-Fe(1) bond lengths. Fe(1) is bonded in a distorted single-bond geometry to three equivalent Cr(1) and four equivalent Os(1) atoms.