# generated using pymatgen
data_Zr6CuIrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79559748
_cell_length_b   5.79559809
_cell_length_c   8.89307131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.10154150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6CuIrO2
_chemical_formula_sum   'Zr6 Cu1 Ir1 O2'
_cell_volume   166.59679101
_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
  Zr  Zr0  1  0.13602425  0.86397875  0.05256560  1.0
  Zr  Zr1  1  0.44132065  0.55868235  0.25000000  1.0
  Zr  Zr2  1  0.13602425  0.86397875  0.44743440  1.0
  Zr  Zr3  1  0.86767218  0.13233082  0.55707923  1.0
  Zr  Zr4  1  0.55782726  0.44217574  0.75000000  1.0
  Zr  Zr5  1  0.86767218  0.13233082  0.94292077  1.0
  Cu  Cu6  1  0.25176793  0.74823507  0.75000000  1.0
  Ir  Ir7  1  0.74647850  0.25352450  0.25000000  1.0
  O  O8  1  0.49761290  0.50238910  0.99849650  1.0
  O  O9  1  0.49761290  0.50238910  0.50150250  1.0