data_CaSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnSb2
_chemical_formula_sum   'Ca1 Sn1 Sb2'
_cell_volume   117.65
_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  0.33  1.0
  Sn  Sn3  1  0.87  0.87  0.99  1.0
  Sb  Sb1  1  0.87  0.87  0.33  1.0
  Sb  Sb2  1  0.0  0.0  0.42  1.0

data_CaSnSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaSnSb2
_chemical_formula_sum   'Ca2 Sn2 Sb4'
_cell_volume   235.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.33  1.0
  Sn  Sn1  2  0.37  0.5  0.99  1.0
  Sb  Sb2  2  0.0  0.0  0.42  1.0
  Sb  Sb3  2  0.37  0.5  0.33  1.0

Ca Sn Sb Sb
Ca Sn Sb Sb 0 2 - - o 0 3 o o o 0 1 - - - 1 2 o o + 