data_[Sr6Ga4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3295]
_cell_length_b [4.3003]
_cell_length_c [8.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(GaIr2)2]
_chemical_formula_sum '[Sr6 Ga4 Ir8]'
_cell_volume [417.0442]
_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  4  0.1303  0.5000  0.3735  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1641  0.5000  0.7685  1.0
  Ir  Ir3  4  0.0782  0.0000  0.6276  1.0
  Ir  Ir4  4  0.2478  0.0000  0.9228  1.0
]