The compound described by Ca2SnS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form distorted CaS6 pentagonal pyramids that share corners with four equivalent Ca(2)S6 pentagonal pyramids, corners with two equivalent Sn(1)S4 tetrahedra, edges with two equivalent Ca(1)S6 pentagonal pyramids, edges with two equivalent Sn(1)S4 tetrahedra, and faces with two equivalent Ca(2)S6 pentagonal pyramids. In the second Ca site, Ca(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form distorted CaS6 pentagonal pyramids that share corners with four equivalent Ca(1)S6 pentagonal pyramids, corners with four equivalent Sn(1)S4 tetrahedra, edges with two equivalent Ca(2)S6 pentagonal pyramids,  an edgeedge with one Sn(1)S4 tetrahedra, and faces with two equivalent Ca(1)S6 pentagonal pyramids. Sn(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form SnS4 tetrahedra that share corners with two equivalent Ca(1)S6 pentagonal pyramids, corners with four equivalent Ca(2)S6 pentagonal pyramids,  an edgeedge with one Ca(2)S6 pentagonal pyramid, and edges with two equivalent Ca(1)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the third S site, S(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom to form a mixture of face, corner, and edge-sharing SCa4Sn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.996
_cell_length_b   6.831
_cell_length_c   7.793
_cell_angle_alpha   72.967
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.064
_cell_formula_units_Z   2
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  0.250  0.711  0.946  1.0
  Ca  Ca1  1  0.750  0.289  0.054  1.0
  Ca  Ca2  1  0.250  0.724  0.446  1.0
  Ca  Ca3  1  0.750  0.276  0.554  1.0
  Sn  Sn4  1  0.250  0.241  0.813  1.0
  Sn  Sn5  1  0.750  0.759  0.187  1.0
  S  S6  1  0.250  0.031  0.115  1.0
  S  S7  1  0.750  0.969  0.885  1.0
  S  S8  1  0.250  0.036  0.615  1.0
  S  S9  1  0.750  0.964  0.385  1.0
  S  S10  1  0.504  0.495  0.748  1.0
  S  S11  1  0.004  0.505  0.252  1.0
  S  S12  1  0.496  0.505  0.252  1.0
  S  S13  1  0.996  0.495  0.748  1.0
[/CIF]
.
The compound described by Ca2SnS4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form distorted CaS6 pentagonal pyramids that share corners with four equivalent Ca(2)S6 pentagonal pyramids, corners with two equivalent Sn(1)S4 tetrahedra, edges with two equivalent Ca(1)S6 pentagonal pyramids, edges with two equivalent Sn(1)S4 tetrahedra, and faces with two equivalent Ca(2)S6 pentagonal pyramids. In the second Ca site, Ca(2) is bonded to one S(1), one S(2), and four equivalent S(3) atoms to form distorted CaS6 pentagonal pyramids that share corners with four equivalent Ca(1)S6 pentagonal pyramids, corners with four equivalent Sn(1)S4 tetrahedra, edges with two equivalent Ca(2)S6 pentagonal pyramids,  an edgeedge with one Sn(1)S4 tetrahedra, and faces with two equivalent Ca(1)S6 pentagonal pyramids. Sn(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form SnS4 tetrahedra that share corners with two equivalent Ca(1)S6 pentagonal pyramids, corners with four equivalent Ca(2)S6 pentagonal pyramids,  an edgeedge with one Ca(2)S6 pentagonal pyramid, and edges with two equivalent Ca(1)S6 pentagonal pyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Sn(1) atom. In the third S site, S(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one Sn(1) atom to form a mixture of face, corner, and edge-sharing SCa4Sn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.996
_cell_length_b   6.831
_cell_length_c   7.793
_cell_angle_alpha   72.967
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.064
_cell_formula_units_Z   2
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  0.250  0.711  0.946  1.0
  Ca  Ca1  1  0.750  0.289  0.054  1.0
  Ca  Ca2  1  0.250  0.724  0.446  1.0
  Ca  Ca3  1  0.750  0.276  0.554  1.0
  Sn  Sn4  1  0.250  0.241  0.813  1.0
  Sn  Sn5  1  0.750  0.759  0.187  1.0
  S  S6  1  0.250  0.031  0.115  1.0
  S  S7  1  0.750  0.969  0.885  1.0
  S  S8  1  0.250  0.036  0.615  1.0
  S  S9  1  0.750  0.964  0.385  1.0
  S  S10  1  0.504  0.495  0.748  1.0
  S  S11  1  0.004  0.505  0.252  1.0
  S  S12  1  0.496  0.505  0.252  1.0
  S  S13  1  0.996  0.495  0.748  1.0
[/CIF]
.