data_[Ba4Sr4Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [9.3687]
_cell_length_b [9.4756]
_cell_length_c [6.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [BaSrSi4]
_chemical_formula_sum '[Ba4 Sr4 Si16]'
_cell_volume [592.1864]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.3745  0.7500  1
  Sr  Sr1  4  0.1245  0.0000  0.5000  1
  Si  Si2  8  0.1273  0.2903  0.2091  1
  Si  Si3  8  0.2008  0.1229  0.9531  1
]