data_Cr2CoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoSn
_chemical_formula_sum   'Cr2 Co1 Sn1'
_cell_volume   54.72
_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  Cr1  1  0.95  0.0  0.5  1.0
  Cr  Cr2  1  0.95  0.0  0.48  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.49  1.0

data_Cr2CoSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2CoSn
_chemical_formula_sum   'Cr2 Co1 Sn1'
_cell_volume   54.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.95  0.0  0.48  1.0
  Cr  Cr1  1  0.95  0.0  0.5  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.49  1.0

Cr Cr Co Sn
Cr Cr Co Sn 0 3 + o o 0 1 o o o 1 3 + o o 1 2 + o o 2 2 o + o 2 2 + o o 
Cr2CoSn crystallizes in the monoclinic Pm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Cr(2), one Co(1), and one Sn(1) atom. The Cr(1)-Cr(2) bond length is 0.14 Å. The Cr(1)-Co(1) bond length is 3.50 Å. The Cr(1)-Sn(1) bond length is 0.16 Å. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one Cr(1), one Co(1), and one Sn(1) atom. The Cr(2)-Co(1) bond length is 3.34 Å. The Cr(2)-Sn(1) bond length is 0.16 Å. Co(1) is bonded to one Cr(1), one Cr(2), and four equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing CoCr2Co4 octahedra. The corner-sharing octahedra are not tilted. All Co(1)-Co(1) bond lengths are 2.80 Å. Sn(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Cr(2) atom.