data_[Ba12Si4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [7.5770]
_cell_length_b [8.2834]
_cell_length_c [13.4203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Si2O]
_chemical_formula_sum '[Ba12 Si4 O2]'
_cell_volume [694.8323]
_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
[
  Ba  Ba0  4  0.1473  0.6756  0.9435  1.0
  Ba  Ba1  4  0.2596  0.1960  0.9401  1.0
  Ba  Ba2  4  0.3719  0.5348  0.7619  1.0
  Si  Si3  4  0.2193  0.5813  0.2499  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]