data_LaBeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeCo2
_chemical_formula_sum   'La1 Be1 Co2'
_cell_volume   65.53
_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
  La  La3  1  0.8  0.8  0.8  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.2  0.2  0.2  1.0
  Co  Co2  1  0.6  0.6  0.6  1.0

data_LaBeCo2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaBeCo2
_chemical_formula_sum   'La3 Be3 Co6'
_cell_volume   196.58
_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
  La  La0  3  0.0  0.0  0.2  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.4  1.0
  Co  Co3  3  0.0  0.0  0.8  1.0

La Be Co Co
La Be Co Co 0 3 o o o 0 3 o + o 0 3 + o o 0 3 o o + 0 2 o + + 0 2 + o + 0 2 + + o 0 1 + + + 1 3 - - o 1 3 - o - 1 3 o - - 1 2 o o o 1 2 o o - 1 2 - o o 1 2 o - o 2 3 - o o 2 3 o - o 2 3 o o - 
BeLaCo2 crystallizes in the trigonal R3m space group. Be(1) is bonded in a 2-coordinate geometry to one La(1) and one Co(1) atom. The Be(1)-La(1) bond length is 2.22 Å. The Be(1)-Co(1) bond length is 2.22 Å. La(1) is bonded in a 2-coordinate geometry to one Be(1), one Co(2), and three equivalent Co(1) atoms. The La(1)-Co(2) bond length is 2.22 Å. All La(1)-Co(1) bond lengths are 2.72 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) and three equivalent La(1) atoms. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one La(1) atom.