# generated using pymatgen
data_NaCaIrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44420289
_cell_length_b   9.44418971
_cell_length_c   3.19305012
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.52650753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaIrO4
_chemical_formula_sum   'Na3 Ca3 Ir3 O12'
_cell_volume   247.80997469
_cell_formula_units_Z   3
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
  Na  Na0  1  0.98722133  0.98722040  0.00000000  1.0
  Na  Na1  1  0.69396284  0.99536595  0.50000000  1.0
  Na  Na2  1  0.99537720  0.69396393  0.50000000  1.0
  Ca  Ca3  1  0.67195255  0.33570152  0.50000000  1.0
  Ca  Ca4  1  0.33574504  0.67195061  0.50000000  1.0
  Ca  Ca5  1  0.30209300  0.30209745  0.50000000  1.0
  Ir  Ir6  1  0.67191432  0.67191680  0.00000000  1.0
  Ir  Ir7  1  0.32641759  0.00054104  0.00000000  1.0
  Ir  Ir8  1  0.00054110  0.32641133  0.00000000  1.0
  O  O9  1  0.55010826  0.78390706  0.00000000  1.0
  O  O10  1  0.21380342  0.77146508  0.00000000  1.0
  O  O11  1  0.23851653  0.44464673  0.00000000  1.0
  O  O12  1  0.78386913  0.55006561  0.00000000  1.0
  O  O13  1  0.77144161  0.21375347  0.00000000  1.0
  O  O14  1  0.44462484  0.23853159  0.00000000  1.0
  O  O15  1  0.54120854  0.54127391  0.50000000  1.0
  O  O16  1  0.45864380  0.00537327  0.50000000  1.0
  O  O17  1  0.00536003  0.45862652  0.50000000  1.0
  O  O18  1  0.80685185  0.80685678  0.50000000  1.0
  O  O19  1  0.19231490  0.00809812  0.50000000  1.0
  O  O20  1  0.00813312  0.19233186  0.50000000  1.0