# generated using pymatgen
data_Ba(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21308832
_cell_length_b   6.21308832
_cell_length_c   6.21308832
_cell_angle_alpha   100.41193295
_cell_angle_beta   100.41193295
_cell_angle_gamma   129.68393197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(FeSe2)2
_chemical_formula_sum   'Ba1 Fe2 Se4'
_cell_volume   167.06701707
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  Fe  Fe2  1  0.25000000  0.75000000  0.50000000  1.0
  Se  Se3  1  0.30042600  0.11997400  0.42040000  1.0
  Se  Se4  1  0.69957400  0.88002600  0.57960000  1.0
  Se  Se5  1  0.88002600  0.30042600  0.18045200  1.0
  Se  Se6  1  0.11997400  0.69957400  0.81954800  1.0