# generated using pymatgen
data_Ba3Fe3Se7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02010845
_cell_length_b   11.02010845
_cell_length_c   7.35335900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Fe3Se7
_chemical_formula_sum   'Ba6 Fe6 Se14'
_cell_volume   773.37143326
_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
  Ba  Ba0  1  0.37185400  0.18592700  0.50402100  1.0
  Ba  Ba1  1  0.62814600  0.81407300  0.00402100  1.0
  Ba  Ba2  1  0.18592700  0.37185400  0.00402100  1.0
  Ba  Ba3  1  0.18592700  0.81407300  0.00402100  1.0
  Ba  Ba4  1  0.81407300  0.62814600  0.50402100  1.0
  Ba  Ba5  1  0.81407300  0.18592700  0.50402100  1.0
  Fe  Fe6  1  0.25486500  0.74513500  0.48859100  1.0
  Fe  Fe7  1  0.74513500  0.49026900  0.98859100  1.0
  Fe  Fe8  1  0.25486500  0.50973100  0.48859100  1.0
  Fe  Fe9  1  0.49026900  0.74513500  0.48859100  1.0
  Fe  Fe10  1  0.50973100  0.25486500  0.98859100  1.0
  Fe  Fe11  1  0.74513500  0.25486500  0.98859100  1.0
  Se  Se12  1  0.72543400  0.86271700  0.57603400  1.0
  Se  Se13  1  0.45484300  0.54515700  0.31467500  1.0
  Se  Se14  1  0.13728300  0.86271700  0.57603400  1.0
  Se  Se15  1  0.66666700  0.33333300  0.24753600  1.0
  Se  Se16  1  0.33333300  0.66666700  0.74753600  1.0
  Se  Se17  1  0.45484300  0.90968500  0.31467500  1.0
  Se  Se18  1  0.86271700  0.72543400  0.07603400  1.0
  Se  Se19  1  0.54515700  0.09031500  0.81467500  1.0
  Se  Se20  1  0.13728300  0.27456600  0.57603400  1.0
  Se  Se21  1  0.27456600  0.13728300  0.07603400  1.0
  Se  Se22  1  0.90968500  0.45484300  0.81467500  1.0
  Se  Se23  1  0.54515700  0.45484300  0.81467500  1.0
  Se  Se24  1  0.09031500  0.54515700  0.31467500  1.0
  Se  Se25  1  0.86271700  0.13728300  0.07603400  1.0