data_CrCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2Cu
_chemical_formula_sum   'Cr1 Co2 Cu1'
_cell_volume   46.65
_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
  Cr  Cr2  1  0.0  0.0  0.6  1.0
  Co  Co0  1  0.0  0.0  0.07  1.0
  Co  Co1  1  0.48  0.48  0.3  1.0
  Cu  Cu3  1  0.48  0.48  0.02  1.0

data_CrCo2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCo2Cu
_chemical_formula_sum   'Cr2 Co4 Cu2'
_cell_volume   93.31
_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
  Cr  Cr0  2  0.0  0.0  0.6  1.0
  Co  Co1  2  0.0  0.0  0.07  1.0
  Co  Co2  2  0.48  0.0  0.3  1.0
  Cu  Cu3  2  0.48  0.0  0.02  1.0

Cr Co Co Cu
CrCo2Cu crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 14-coordinate geometry to four equivalent Cr(1), two equivalent Co(1), four equivalent Co(2), and four equivalent Cu(1) atoms. All Cr(1)-Cr(1) bond lengths are 2.96 Å. There is one shorter (2.49 Å) and one longer (2.83 Å) Cr(1)-Co(1) bond length. There are a spread of Cr(1)-Co(2) bond distances ranging from 2.58-2.70 Å. There are a spread of Cr(1)-Cu(1) bond distances ranging from 3.01-3.12 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1) and four equivalent Cu(1) atoms. There are a spread of Co(1)-Cu(1) bond distances ranging from 2.03-2.19 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to four equivalent Cr(1) and one Cu(1) atom. The Co(2)-Cu(1) bond length is 1.48 Å. Cu(1) is bonded in a 1-coordinate geometry to four equivalent Cr(1), one Co(2), and four equivalent Co(1) atoms.