# generated using pymatgen
data_Fe4Se3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68907257
_cell_length_b   6.68907257
_cell_length_c   6.68907257
_cell_angle_alpha   133.77987449
_cell_angle_beta   133.77987449
_cell_angle_gamma   67.43202658
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Se3Br
_chemical_formula_sum   'Fe4 Se3 Br1'
_cell_volume   153.40957544
_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  0.24869100  0.24869100  0.49671700  1.0
  Fe  Fe1  1  0.75197500  0.75197500  0.50328300  1.0
  Fe  Fe2  1  0.24869100  0.75197500  0.00000000  1.0
  Fe  Fe3  1  0.75197500  0.24869100  0.00000000  1.0
  Se  Se4  1  0.87577200  0.87577200  0.00000000  1.0
  Se  Se5  1  0.62354900  0.12354900  0.50000000  1.0
  Se  Se6  1  0.12354900  0.62354900  0.50000000  1.0
  Br  Br7  1  0.37579700  0.37579700  0.00000000  1.0