data_CaFeSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   134.4
_cell_angle_beta   134.4
_cell_angle_gamma   66.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeSn2
_chemical_formula_sum   'Ca1 Fe1 Sn2'
_cell_volume   85.53
_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
  Fe  Fe1  1  0.15  0.0  0.32  1.0
  Sn  Sn2  1  0.0  0.0  0.64  1.0
  Sn  Sn3  1  0.0  0.15  0.32  1.0

data_CaFeSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.54
_cell_angle_alpha   112.8
_cell_angle_beta   112.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeSn2
_chemical_formula_sum   'Ca1 Fe1 Sn2'
_cell_volume   85.53
_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
  Fe  Fe1  1  0.68  0.0  0.83  1.0
  Sn  Sn2  1  0.36  0.0  0.36  1.0
  Sn  Sn3  1  0.83  0.15  0.83  1.0

Ca Fe Sn Sn
Ca Fe Sn Sn 0 3 o o o 0 1 o o o 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 