data_[Sr2Si2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4187]
_cell_length_b [3.8915]
_cell_length_c [7.0910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrSiIr]
_chemical_formula_sum '[Sr2 Si2 Ir2]'
_cell_volume [146.9462]
_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  0.2863  0.2500  0.1821  1
  Si  Si1  2  0.1799  0.7500  0.5371  1
  Ir  Ir2  2  0.1762  0.2500  0.7162  1
]