data_CaSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.34
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   97.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2W
_chemical_formula_sum   'Ca1 Sn2 W1'
_cell_volume   91.63
_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
  Ca  Ca0  1  0.32  0.0  0.24  1.0
  Sn  Sn1  1  0.93  0.67  0.41  1.0
  Sn  Sn2  1  0.17  0.0  0.56  1.0
  W  W3  1  0.59  0.67  0.6  1.0

data_CaSn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.34
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   97.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2W
_chemical_formula_sum   'Ca1 Sn2 W1'
_cell_volume   91.63
_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
  Ca  Ca0  1  0.32  0.0  0.24  1.0
  Sn  Sn1  1  0.17  0.0  0.56  1.0
  Sn  Sn2  1  0.93  0.67  0.41  1.0
  W  W3  1  0.59  0.67  0.6  1.0

Ca Sn Sn W
Ca Sn Sn W 0 2 o o o 1 3 o o o 1 2 + + o 2 3 o - o 
CaSnWSn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaSn cluster and one WSn cluster. In the CaSn cluster, Ca(1) is bonded in a distorted single-bond geometry to one Sn(2) atom. The Ca(1)-Sn(2) bond length is 1.91 Å. Sn(2) is bonded in a 1-coordinate geometry to one Ca(1) atom. In the WSn cluster, W(1) is bonded in a 1-coordinate geometry to one Sn(1) atom. The W(1)-Sn(1) bond length is 1.59 Å. Sn(1) is bonded in a 1-coordinate geometry to one W(1) atom.