data_[Sr6Ni8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6666]
_cell_length_b [4.2703]
_cell_length_c [8.3355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(Ni2Ir)2]
_chemical_formula_sum '[Sr6 Ni8 Ir4]'
_cell_volume [366.8163]
_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  0.1280  0.5000  0.3766  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.0856  0.0000  0.6398  1
  Ni  Ni3  4  0.2457  0.0000  0.9162  1
  Ir  Ir4  4  0.1708  0.5000  0.7758  1
]