data_Ca2AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   119.64
_cell_angle_beta   119.64
_cell_angle_gamma   90.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlCo
_chemical_formula_sum   'Ca2 Al1 Co1'
_cell_volume   87.25
_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
  Ca  Ca1  1  0.5  0.0  0.75  1.0
  Ca  Ca2  1  0.0  0.5  0.75  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.49  1.0

data_Ca2AlCo
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   4.97
_cell_length_b   7.07
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   Ca2AlCo
_chemical_formula_sum   'Ca4 Al2 Co2'
_cell_volume   174.51
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Ca  Ca0  4  0.0  0.25  0.75  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Co  Co2  2  0.0  0.5  0.5  1.0

Ca Ca Al Co
Ca2CoAl crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a linear geometry to one Co(1) and one Al(1) atom. The Ca(1)-Co(1) bond length is 2.15 Å. The Ca(1)-Al(1) bond length is 2.17 Å. Co(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent Al(1) atoms. There is one shorter (2.46 Å) and one longer (2.51 Å) Co(1)-Al(1) bond length. Al(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Co(1) atoms.