data_ScBeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeCo2
_chemical_formula_sum   'Sc1 Be1 Co2'
_cell_volume   48.05
_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
  Sc  Sc3  1  0.0  0.0  0.85  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.45  0.45  0.17  1.0
  Co  Co2  1  0.45  0.45  0.52  1.0

data_ScBeCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBeCo2
_chemical_formula_sum   'Sc2 Be2 Co4'
_cell_volume   96.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.85  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Co  Co2  2  0.45  0.0  0.17  1.0
  Co  Co3  2  0.45  0.0  0.52  1.0

Sc Be Co Co
Sc Be Co Co 0 1 o o + 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 3 o o o 
BeScCo2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to one Sc(1) and four equivalent Co(1) atoms. The Be(1)-Sc(1) bond length is 0.86 Å. There are a spread of Be(1)-Co(1) bond distances ranging from 2.10-2.46 Å. Sc(1) is bonded in a single-bond geometry to one Be(1) and four equivalent Co(2) atoms. There are a spread of Sc(1)-Co(2) bond distances ranging from 2.62-2.91 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 2.00 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Co(1), and four equivalent Co(2) atoms. All Co(2)-Co(2) bond lengths are 2.90 Å.