# generated using pymatgen
data_KFeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54977449
_cell_length_b   6.81197849
_cell_length_c   6.81198381
_cell_angle_alpha   114.85916061
_cell_angle_beta   101.83311991
_cell_angle_gamma   101.83300438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeSe2
_chemical_formula_sum   'K2 Fe2 Se4'
_cell_volume   216.04911682
_cell_formula_units_Z   2
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
  K  K0  1  0.25000000  0.36309222  0.63690678  1.0
  K  K1  1  0.75000000  0.63690973  0.36309027  1.0
  Fe  Fe2  1  0.24999900  0.99613126  0.00386874  1.0
  Fe  Fe3  1  0.75000100  0.00382811  0.99617189  1.0
  Se  Se4  1  0.89469475  0.68580293  0.91484610  1.0
  Se  Se5  1  0.60530725  0.08515890  0.31419807  1.0
  Se  Se6  1  0.10543728  0.31419824  0.08511539  1.0
  Se  Se7  1  0.39456072  0.91487861  0.68580176  1.0