[CIF]
data_FeSi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79319568
_cell_length_b   2.79319568
_cell_length_c   7.34550597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Se
_chemical_formula_sum   'Fe1 Si2 Se1'
_cell_volume   57.30921232
_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  0.00000000  0.00000000  0.00000000  1
  Se  Se1  1  0.00000000  0.00000000  3.67275298  1
  Si  Si2  1  1.39659784  1.39659784  5.95366738  1
  Si  Si3  1  1.39659784  1.39659784  1.39183859  1
[/CIF]
