# generated using pymatgen
data_Sr2Ir2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32194054
_cell_length_b   4.32193990
_cell_length_c   17.30248090
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ir2Br
_chemical_formula_sum   'Sr4 Ir4 Br2'
_cell_volume   279.89585434
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.11731106  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.38268894  1.0
  Sr  Sr2  1  0.00000000  0.00000000  0.61731106  1.0
  Sr  Sr3  1  0.00000000  0.00000000  0.88268894  1.0
  Ir  Ir4  1  0.33333300  0.66666700  0.00149229  1.0
  Ir  Ir5  1  0.33333300  0.66666700  0.49850771  1.0
  Ir  Ir6  1  0.66666800  0.33333500  0.50149229  1.0
  Ir  Ir7  1  0.66666800  0.33333500  0.99850771  1.0
  Br  Br8  1  0.66666800  0.33333500  0.25000000  1.0
  Br  Br9  1  0.33333300  0.66666700  0.75000000  1.0