# generated using pymatgen
data_Cs3FeBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25753372
_cell_length_b   10.25753372
_cell_length_c   10.25753372
_cell_angle_alpha   120.23243066
_cell_angle_beta   120.23243066
_cell_angle_gamma   89.59788754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3FeBr5
_chemical_formula_sum   'Cs6 Fe2 Br10'
_cell_volume   760.45553733
_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
  Cs  Cs0  1  0.66825600  0.16825600  0.83651200  1.0
  Cs  Cs1  1  0.33174400  0.83174400  0.16348800  1.0
  Cs  Cs2  1  0.16825600  0.33174400  0.50000000  1.0
  Cs  Cs3  1  0.83174400  0.66825600  0.50000000  1.0
  Cs  Cs4  1  0.75000000  0.75000000  0.00000000  1.0
  Cs  Cs5  1  0.25000000  0.25000000  0.00000000  1.0
  Fe  Fe6  1  0.75000000  0.25000000  0.50000000  1.0
  Fe  Fe7  1  0.25000000  0.75000000  0.50000000  1.0
  Br  Br8  1  0.98177900  0.48177900  0.77971500  1.0
  Br  Br9  1  0.70206500  0.20206500  0.22028500  1.0
  Br  Br10  1  0.48177900  0.70206500  0.50000000  1.0
  Br  Br11  1  0.20206500  0.98177900  0.50000000  1.0
  Br  Br12  1  0.01822100  0.51822100  0.22028500  1.0
  Br  Br13  1  0.29793500  0.79793500  0.77971500  1.0
  Br  Br14  1  0.51822100  0.29793500  0.50000000  1.0
  Br  Br15  1  0.79793500  0.01822100  0.50000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br17  1  0.50000000  0.50000000  0.00000000  1.0