# generated using pymatgen
data_Sr3MgFe2Br2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05236820
_cell_length_b   4.05259498
_cell_length_c   15.73934056
_cell_angle_alpha   97.60425032
_cell_angle_beta   97.59130725
_cell_angle_gamma   89.88804703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3MgFe2Br2O5
_chemical_formula_sum   'Sr3 Mg1 Fe2 Br2 O5'
_cell_volume   253.93062579
_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
  Sr  Sr0  1  0.87509900  0.87509300  0.75104500  1.0
  Sr  Sr1  1  0.11517800  0.11513200  0.22940200  1.0
  Sr  Sr2  1  0.99816600  0.99818500  0.99746500  1.0
  Mg  Mg3  1  0.22946900  0.22944400  0.46085500  1.0
  Fe  Fe4  1  0.43386600  0.43393900  0.86626700  1.0
  Fe  Fe5  1  0.56303000  0.56280400  0.12669800  1.0
  Br  Br6  1  0.31420800  0.31418600  0.63102000  1.0
  Br  Br7  1  0.70581100  0.70579900  0.41671600  1.0
  O  O8  1  0.07264800  0.57160700  0.14371900  1.0
  O  O9  1  0.92012800  0.42054800  0.83994600  1.0
  O  O10  1  0.42053000  0.92011300  0.83995500  1.0
  O  O11  1  0.49690800  0.49706600  0.98839000  1.0
  O  O12  1  0.57162400  0.07274800  0.14370500  1.0