# generated using pymatgen
data_Ca2Zn3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39912290
_cell_length_b   5.39912255
_cell_length_c   5.38585425
_cell_angle_alpha   59.91846961
_cell_angle_beta   59.91847380
_cell_angle_gamma   59.99999350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Zn3Ir
_chemical_formula_sum   'Ca2 Zn3 Ir1'
_cell_volume   110.87910065
_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
  Ca  Ca0  1  0.25365568  0.25365568  0.23903396  1.0
  Ca  Ca1  1  0.99634432  0.99634432  0.01096604  1.0
  Zn  Zn2  1  0.62500000  0.62500000  0.62500000  1.0
  Zn  Zn3  1  0.12500000  0.62500000  0.62500000  1.0
  Zn  Zn4  1  0.62500000  0.12500000  0.62500000  1.0
  Ir  Ir5  1  0.62500000  0.62500000  0.12500000  1.0