# generated using pymatgen
data_Sr7Ca(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91145974
_cell_length_b   6.91145974
_cell_length_c   6.91146040
_cell_angle_alpha   90.95029015
_cell_angle_beta   90.95029015
_cell_angle_gamma   90.95029401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr7Ca(IrO6)2
_chemical_formula_sum   'Sr7 Ca1 Ir2 O12'
_cell_volume   330.01079455
_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  0.13762700  0.86237300  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.13762700  0.86237300  1.0
  Sr  Sr2  1  0.86237300  0.50000000  0.13762700  1.0
  Sr  Sr3  1  0.00000000  0.36550600  0.63449400  1.0
  Sr  Sr4  1  0.63449400  0.00000000  0.36550600  1.0
  Sr  Sr5  1  0.36550600  0.63449400  0.00000000  1.0
  Sr  Sr6  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca7  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir8  1  0.74659200  0.74659200  0.74659200  1.0
  Ir  Ir9  1  0.25340800  0.25340800  0.25340800  1.0
  O  O10  1  0.46217700  0.79842600  0.66904500  1.0
  O  O11  1  0.66904500  0.46217700  0.79842600  1.0
  O  O12  1  0.79842600  0.66904500  0.46217700  1.0
  O  O13  1  0.17822400  0.30885200  0.96725100  1.0
  O  O14  1  0.96725100  0.17822400  0.30885200  1.0
  O  O15  1  0.30885200  0.96725100  0.17822400  1.0
  O  O16  1  0.03274900  0.69114800  0.82177600  1.0
  O  O17  1  0.82177600  0.03274900  0.69114800  1.0
  O  O18  1  0.69114800  0.82177600  0.03274900  1.0
  O  O19  1  0.33095500  0.20157400  0.53782300  1.0
  O  O20  1  0.53782300  0.33095500  0.20157400  1.0
  O  O21  1  0.20157400  0.53782300  0.33095500  1.0