# generated using pymatgen
data_Ca2ZnIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30515095
_cell_length_b   5.25781235
_cell_length_c   8.84522359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.70524886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnIr3
_chemical_formula_sum   'Ca4 Zn2 Ir6'
_cell_volume   214.30116349
_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  0.33063208  0.66528888  0.06477955  1.0
  Ca  Ca1  1  0.66936792  0.33465579  0.56477955  1.0
  Ca  Ca2  1  0.66936792  0.33465579  0.93522045  1.0
  Ca  Ca3  1  0.33063208  0.66528888  0.43522045  1.0
  Zn  Zn4  1  0.82834486  0.16873809  0.25000000  1.0
  Zn  Zn5  1  0.17165514  0.34039324  0.75000000  1.0
  Ir  Ir6  1  1.00000000  0.98892627  0.00000000  1.0
  Ir  Ir7  1  1.00000000  0.98892627  0.50000000  1.0
  Ir  Ir8  1  0.81771060  0.65932886  0.25000000  1.0
  Ir  Ir9  1  0.18228940  0.84161926  0.75000000  1.0
  Ir  Ir10  1  0.66303158  0.83760512  0.75000000  1.0
  Ir  Ir11  1  0.33696842  0.17457355  0.25000000  1.0