data_BeCo4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo4Si
_chemical_formula_sum   'Be1 Co4 Si1'
_cell_volume   68.56
_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
  Co  Co1  1  0.06  0.06  0.44  1.0
  Co  Co2  1  0.06  0.44  0.06  1.0
  Co  Co3  1  0.44  0.06  0.06  1.0
  Co  Co4  1  0.44  0.44  0.44  1.0
  Si  Si5  1  0.87  0.87  0.87  1.0

data_BeCo4Si
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   11.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeCo4Si
_chemical_formula_sum   'Be3 Co12 Si3'
_cell_volume   205.69
_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
  Co  Co1  9  0.08  0.54  0.48  1.0
  Co  Co2  3  0.0  0.0  0.56  1.0
  Si  Si3  3  0.0  0.0  0.13  1.0

Be Co Co Co Co Si
BeCo4Si crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to three equivalent Co(1), three equivalent Co(2), and one Si(1) atom. All Be(1)-Co(1) bond lengths are 2.32 Å. All Be(1)-Co(2) bond lengths are 2.89 Å. The Be(1)-Si(1) bond length is 1.43 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Be(1), two equivalent Co(1), two equivalent Co(2), and one Si(1) atom. Both Co(1)-Co(1) bond lengths are 1.72 Å. Both Co(1)-Co(2) bond lengths are 2.50 Å. The Co(1)-Si(1) bond length is 1.67 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Be(1) and six equivalent Co(1) atoms. Si(1) is bonded in a distorted single-bond geometry to one Be(1) and three equivalent Co(1) atoms.