data_FeSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   4.29
_cell_angle_alpha   103.72
_cell_angle_beta   103.72
_cell_angle_gamma   26.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Se
_chemical_formula_sum   'Fe1 Sn2 Se1'
_cell_volume   88.39
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.64  0.0  0.43  1.0
  Sn  Sn3  1  0.74  0.0  0.73  1.0
  Se  Se1  1  0.19  0.0  0.08  1.0

data_FeSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.29
_cell_length_c   6.9
_cell_angle_alpha   103.72
_cell_angle_beta   103.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Se
_chemical_formula_sum   'Fe1 Sn2 Se1'
_cell_volume   88.39
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.43  0.64  1.0
  Sn  Sn2  1  0.0  0.73  0.74  1.0
  Se  Se3  1  0.0  0.08  0.19  1.0

Fe Sn Sn Se