data_[Sr12Si4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2023]
_cell_length_b [7.7307]
_cell_length_c [12.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Si2O]
_chemical_formula_sum '[Sr12 Si4 O2]'
_cell_volume [576.3258]
_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  0.1532  0.1834  0.4490  1.0
  Sr  Sr1  4  0.2648  0.7014  0.4490  1.0
  Sr  Sr2  4  0.3546  0.0279  0.2581  1.0
  Si  Si3  4  0.2273  0.0745  0.7494  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]