data_[Sr16In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5086]
_cell_length_b [26.3760]
_cell_length_c [6.6698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SrIn]
_chemical_formula_sum '[Sr16 In16]'
_cell_volume [1153.7118]
_cell_formula_units_Z [16]
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  8  0.0256  0.4455  0.8015  1.0
  Sr  Sr1  8  0.2925  0.7970  0.2988  1.0
  In  In2  8  0.0539  0.0914  0.7500  1.0
  In  In3  8  0.2123  0.1608  0.2452  1.0
]