data_FeSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   154.06
_cell_angle_beta   146.6
_cell_angle_gamma   42.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Se
_chemical_formula_sum   'Fe1 Sn2 Se1'
_cell_volume   85.29
_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  0.59  0.0  0.24  1.0
  Sn  Sn3  1  0.0  0.03  0.35  1.0
  Se  Se1  1  0.0  0.0  0.59  1.0

data_FeSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.07
_cell_length_c   7.08
_cell_angle_alpha   106.7
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Se
_chemical_formula_sum   'Fe1 Sn2 Se1'
_cell_volume   85.29
_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  0.35  0.76  0.35  1.0
  Sn  Sn2  1  0.65  0.68  0.68  1.0
  Se  Se3  1  0.41  0.41  0.41  1.0

Fe Sn Sn Se
Fe Sn Sn Se 0 2 o o o 1 3 + o o 2 3 o o o 