# generated using pymatgen
data_Ca4IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61041680
_cell_length_b   6.61041680
_cell_length_c   6.61041733
_cell_angle_alpha   90.97744589
_cell_angle_beta   90.97744589
_cell_angle_gamma   90.97745266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4IrO6
_chemical_formula_sum   'Ca8 Ir2 O12'
_cell_volume   288.73188891
_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
  Ca  Ca0  1  0.61032500  0.88967500  0.25000000  1.0
  Ca  Ca1  1  0.88967500  0.25000000  0.61032500  1.0
  Ca  Ca2  1  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca3  1  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca4  1  0.75000000  0.38967500  0.11032500  1.0
  Ca  Ca5  1  0.11032500  0.75000000  0.38967500  1.0
  Ca  Ca6  1  0.38967500  0.11032500  0.75000000  1.0
  Ca  Ca7  1  0.25000000  0.61032500  0.88967500  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir9  1  0.50000000  0.50000000  0.50000000  1.0
  O  O10  1  0.57129200  0.44502800  0.79656900  1.0
  O  O11  1  0.79656900  0.57129200  0.44502800  1.0
  O  O12  1  0.44502800  0.79656900  0.57129200  1.0
  O  O13  1  0.92870800  0.70343100  0.05497200  1.0
  O  O14  1  0.05497200  0.92870800  0.70343100  1.0
  O  O15  1  0.70343100  0.05497200  0.92870800  1.0
  O  O16  1  0.42870800  0.55497200  0.20343100  1.0
  O  O17  1  0.20343100  0.42870800  0.55497200  1.0
  O  O18  1  0.55497200  0.20343100  0.42870800  1.0
  O  O19  1  0.07129200  0.29656900  0.94502800  1.0
  O  O20  1  0.29656900  0.94502800  0.07129200  1.0
  O  O21  1  0.94502800  0.07129200  0.29656900  1.0