data_BaCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.93
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuSn2
_chemical_formula_sum   'Ba1 Cu1 Sn2'
_cell_volume   103.73
_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
  Ba  Ba0  1  0.28  0.0  0.87  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.76  0.46  0.2  1.0
  Sn  Sn3  1  0.81  0.46  0.54  1.0

data_BaCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.93
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuSn2
_chemical_formula_sum   'Ba1 Cu1 Sn2'
_cell_volume   103.73
_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
  Ba  Ba0  1  0.28  0.0  0.87  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.76  0.46  0.2  1.0
  Sn  Sn3  1  0.81  0.46  0.54  1.0

Ba Cu Sn Sn
BaCuSn2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Sn(1), and four equivalent Sn(2) atoms. The Ba(1)-Cu(1) bond length is 1.39 Å. There is one shorter (3.27 Å) and one longer (3.53 Å) Ba(1)-Sn(1) bond length. There are a spread of Ba(1)-Sn(2) bond distances ranging from 3.27-3.97 Å. Cu(1) is bonded in a distorted single-bond geometry to one Ba(1) and two equivalent Sn(1) atoms. There is one shorter (2.79 Å) and one longer (3.09 Å) Cu(1)-Sn(1) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Cu(1), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 1.98 Å. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Sn(1) atom.