data_[Sr14Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.6413]
_cell_length_b [10.6413]
_cell_length_c [6.7118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sr7Ir3]
_chemical_formula_sum '[Sr14 Ir6]'
_cell_volume [658.1977]
_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
[
  Sr  Sr0  6  0.0768  0.5384  0.5682  1
  Sr  Sr1  6  0.1258  0.2517  0.2596  1
  Sr  Sr2  2  0.3333  0.6667  0.0182  1
  Ir  Ir3  6  0.1876  0.3751  0.8281  1
]