# generated using pymatgen
data_Sr2NiIrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18644888
_cell_length_b   4.18644790
_cell_length_c   17.17092393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NiIrBr
_chemical_formula_sum   'Sr4 Ni2 Ir2 Br2'
_cell_volume   260.62484377
_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  0.61508842  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.38519364  1.0
  Sr  Sr2  1  0.00000000  0.00000000  0.11508842  1.0
  Sr  Sr3  1  0.00000000  0.00000000  0.88519364  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.99848909  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.49848909  1.0
  Ir  Ir6  1  0.66666700  0.33333300  0.50150181  1.0
  Ir  Ir7  1  0.33333300  0.66666700  0.00150181  1.0
  Br  Br8  1  0.66666700  0.33333300  0.24972705  1.0
  Br  Br9  1  0.33333300  0.66666700  0.74972705  1.0