data_Cr2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuSn
_chemical_formula_sum   'Cr2 Cu1 Sn1'
_cell_volume   57.26
_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  0.0  0.0  0.28  1.0
  Cr  Cr1  1  0.56  0.56  0.36  1.0
  Cu  Cu2  1  0.0  0.0  0.81  1.0
  Sn  Sn3  1  0.56  0.56  0.41  1.0

data_Cr2CuSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuSn
_chemical_formula_sum   'Cr4 Cu2 Sn2'
_cell_volume   114.52
_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  0.28  1.0
  Cr  Cr1  2  0.06  0.5  0.36  1.0
  Cu  Cu2  2  0.0  0.0  0.81  1.0
  Sn  Sn3  2  0.06  0.5  0.41  1.0

Cr Cr Cu Sn
Cr Cr Cu Sn 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o o o 0 2 o o - 1 3 o o o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 
Cr2CuSn crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to four equivalent Cr(2), two equivalent Cu(1), and four equivalent Sn(1) atoms. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.00-2.49 Å. There is one shorter (2.82 Å) and one longer (3.08 Å) Cr(1)-Cu(1) bond length. There are a spread of Cr(1)-Sn(1) bond distances ranging from 2.09-2.57 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to four equivalent Cr(1) and one Sn(1) atom. The Cr(2)-Sn(1) bond length is 0.31 Å. Cu(1) is bonded in a distorted single-bond geometry to two equivalent Cr(1) atoms. Sn(1) is bonded in a single-bond geometry to one Cr(2) and four equivalent Cr(1) atoms.