# generated using pymatgen
data_Sr2Ir2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38120811
_cell_length_b   7.38120765
_cell_length_c   7.38120898
_cell_angle_alpha   119.92067878
_cell_angle_beta   117.88480616
_cell_angle_gamma   91.91999724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ir2O7
_chemical_formula_sum   'Sr4 Ir4 O14'
_cell_volume   288.79041562
_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  0.50000000  0.50000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.00000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.00000000  1.0
  Sr  Sr3  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir4  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir6  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.95134399  0.58595636  0.77198546  1.0
  O  O9  1  0.04865601  0.82064147  0.63461236  1.0
  O  O10  1  0.68602911  0.91404364  0.36538764  1.0
  O  O11  1  0.31397089  0.67935853  0.22801454  1.0
  O  O12  1  0.04865601  0.41404364  0.22801454  1.0
  O  O13  1  0.95134399  0.17935853  0.36538764  1.0
  O  O14  1  0.31397089  0.08595636  0.63461236  1.0
  O  O15  1  0.68602911  0.32064147  0.77198546  1.0
  O  O16  1  0.10375957  0.25000000  0.85375957  1.0
  O  O17  1  0.89624043  0.75000000  0.14624043  1.0
  O  O18  1  0.68934724  0.40690526  0.28244198  1.0
  O  O19  1  0.31065276  0.59309474  0.71755802  1.0
  O  O20  1  0.37553772  0.09309474  0.28244198  1.0
  O  O21  1  0.62446228  0.90690526  0.71755802  1.0