data_CaAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAlSn2
_chemical_formula_sum   'Ca1 Al1 Sn2'
_cell_volume   102.07
_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  Ca1  1  0.28  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.64  0.77  0.74  1.0
  Sn  Sn3  1  0.64  0.23  0.74  1.0

data_CaAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   107.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAlSn2
_chemical_formula_sum   'Ca1 Al1 Sn2'
_cell_volume   102.07
_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  0.28  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.74  0.64  0.23  1.0
  Sn  Sn3  1  0.74  0.64  0.77  1.0

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