data_[Ba12Sn2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2443]
_cell_length_b [5.7856]
_cell_length_c [11.3906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6SnO2]
_chemical_formula_sum '[Ba12 Sn2 O4]'
_cell_volume [782.7398]
_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  0.0148  0.0000  0.8212  1.0
  Ba  Ba1  4  0.1648  0.5000  0.7142  1.0
  Ba  Ba2  4  0.2103  0.5000  0.3672  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.1982  0.0000  0.3478  1.0
]