data_CaCrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrSn2
_chemical_formula_sum   'Ca1 Cr1 Sn2'
_cell_volume   88.22
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.15  0.0  0.0  1.0
  Sn  Sn2  1  0.58  0.82  0.6  1.0
  Sn  Sn3  1  0.58  0.18  0.6  1.0

data_CaCrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   108.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrSn2
_chemical_formula_sum   'Ca1 Cr1 Sn2'
_cell_volume   88.22
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.15  0.0  1.0
  Sn  Sn2  1  0.6  0.58  0.18  1.0
  Sn  Sn3  1  0.6  0.58  0.82  1.0

Ca Cr Sn Sn
Ca Cr Sn Sn 0 1 o o o 2 3 o + o 
CaCrSn2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted single-bond geometry to one Cr(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. The Ca(1)-Cr(1) bond length is 0.81 Å. There is one shorter (2.53 Å) and one longer (2.92 Å) Ca(1)-Sn(1) bond length. There is one shorter (3.03 Å) and one longer (3.37 Å) Ca(1)-Sn(2) bond length. Cr(1) is bonded in a single-bond geometry to one Ca(1) and two equivalent Sn(2) atoms. There is one shorter (2.53 Å) and one longer (2.92 Å) Cr(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and two equivalent Sn(2) atoms. There is one shorter (1.95 Å) and one longer (3.43 Å) Sn(1)-Sn(2) bond length. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Cr(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. Both Sn(2)-Sn(2) bond lengths are 3.21 Å.