data_[Sr2Ga8Ir2]
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 [Pmma]
_cell_length_a [7.8948]
_cell_length_b [4.1259]
_cell_length_c [7.3879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SrGa4Ir]
_chemical_formula_sum '[Sr2 Ga8 Ir2]'
_cell_volume [240.6459]
_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  2  0.2500  0.0000  0.3809  1.0
  Ga  Ga1  4  0.0674  0.5000  0.6937  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  2  0.2500  0.5000  0.0519  1.0
  Ir  Ir4  2  0.2500  0.0000  0.8130  1.0
]