# generated using pymatgen
data_Mg2CuIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30347800
_cell_length_b   5.07294800
_cell_length_c   9.16550183
_cell_angle_alpha   57.35212348
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CuIrO6
_chemical_formula_sum   'Mg4 Cu2 Ir2 O12'
_cell_volume   207.63019161
_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
  Mg  Mg0  1  0.93075100  0.23154000  0.75291900  1.0
  Mg  Mg1  1  0.43075100  0.76846000  0.74708100  1.0
  Mg  Mg2  1  0.56924900  0.23154000  0.25291900  1.0
  Mg  Mg3  1  0.06924900  0.76846000  0.24708100  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir6  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir7  1  0.00000000  0.50000000  0.00000000  1.0
  O  O8  1  0.42656600  0.59149800  0.26496300  1.0
  O  O9  1  0.18247200  0.88770600  0.92798300  1.0
  O  O10  1  0.18925600  0.24969300  0.57902900  1.0
  O  O11  1  0.68925600  0.75030700  0.92097100  1.0
  O  O12  1  0.68247200  0.11229400  0.57201700  1.0
  O  O13  1  0.92656600  0.40850200  0.23503700  1.0
  O  O14  1  0.07343400  0.59149800  0.76496300  1.0
  O  O15  1  0.31752800  0.88770600  0.42798300  1.0
  O  O16  1  0.31074400  0.24969300  0.07902900  1.0
  O  O17  1  0.81752800  0.11229400  0.07201700  1.0
  O  O18  1  0.81074400  0.75030700  0.42097100  1.0
  O  O19  1  0.57343400  0.40850200  0.73503700  1.0