data_Cr2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuSi
_chemical_formula_sum   'Cr2 Cu1 Si1'
_cell_volume   48.23
_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  Cr0  1  0.5  0.5  0.07  1.0
  Cr  Cr1  1  0.0  0.0  0.24  1.0
  Cu  Cu2  1  0.5  0.5  0.76  1.0
  Si  Si3  1  0.0  0.0  0.02  1.0

data_Cr2CuSi
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Cr2CuSi
_chemical_formula_sum   'Cr2 Cu1 Si1'
_cell_volume   48.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  1  0.0  0.0  0.07  1.0
  Cr  Cr1  1  0.5  0.5  0.24  1.0
  Cu  Cu2  1  0.0  0.0  0.76  1.0
  Si  Si3  1  0.5  0.5  0.02  1.0

Cr Cr Cu Si
Cr Cr Cu Si 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o o - 1 3 o o o 
CuCrCrSi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two chromium mono silicide molecules and two CuCr clusters. In each CuCr cluster, Cr(1) is bonded in a 1-coordinate geometry to one Cu(1) atom. The Cr(1)-Cu(1) bond length is 1.71 Å. Cu(1) is bonded in a single-bond geometry to one Cr(1) atom.