[CIF]
data_KFe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38518492
_cell_length_b   3.38518492
_cell_length_c   7.77621786
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Se
_chemical_formula_sum   'K1 Fe2 Se1'
_cell_volume   89.11138915
_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  1.69259246  1.69259246  5.02506236  1
  Fe  Fe1  1  1.69259246  1.69259246  2.75115550  1
  K  K2  1  0.00000000  0.00000000  0.00000000  1
  Se  Se3  1  0.00000000  0.00000000  3.88810893  1
[/CIF]
