data_[Zn3Cu7Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.2474]
_cell_length_b [5.2474]
_cell_length_c [6.2506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Zn3Cu7Ir]
_chemical_formula_sum '[Zn3 Cu7 Ir1]'
_cell_volume [149.0514]
_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
[
  Zn  Zn0  3  0.5008  0.0016  0.7860  1
  Cu  Cu1  3  0.1642  0.3284  0.1163  1
  Cu  Cu2  3  0.3312  0.1656  0.4466  1
  Cu  Cu3  1  0.6667  0.3333  0.1126  1
  Ir  Ir4  1  0.3333  0.6667  0.4559  1
]