data_[Sr2Y6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2354]
_cell_length_b [3.8146]
_cell_length_c [9.2987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrY3Ir]
_chemical_formula_sum '[Sr2 Y6 Ir2]'
_cell_volume [317.8391]
_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  0.3053  0.2500  0.4743  1.0
  Y  Y1  2  0.0891  0.7500  0.7106  1.0
  Y  Y2  2  0.1602  0.7500  0.0936  1.0
  Y  Y3  2  0.4785  0.7500  0.8433  1.0
  Ir  Ir4  2  0.2649  0.2500  0.9087  1.0
]