data_[Sr13Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4205]
_cell_length_b [9.4963]
_cell_length_c [11.3873]
_cell_angle_alpha [65.3968]
_cell_angle_beta [83.5117]
_cell_angle_gamma [82.7467]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr13Ir2]
_chemical_formula_sum '[Sr13 Ir2]'
_cell_volume [722.1214]
_cell_formula_units_Z [1]
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  0.0818  0.8535  0.6952  1.0
  Sr  Sr1  2  0.1403  0.7011  0.3803  1.0
  Sr  Sr2  2  0.2315  0.5347  0.0790  1.0
  Sr  Sr3  2  0.3038  0.3769  0.7690  1.0
  Sr  Sr4  2  0.3762  0.2269  0.4720  1.0
  Sr  Sr5  2  0.4744  0.0692  0.1583  1.0
  Sr  Sr6  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir7  2  0.1923  0.1155  0.7316  1.0
]