data_[Ba3Si3As6O24]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.0005]
_cell_length_b [5.0005]
_cell_length_c [24.3819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaSi(AsO4)2]
_chemical_formula_sum '[Ba3 Si3 As6 O24]'
_cell_volume [527.9924]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Si  Si1  3  0.0000  0.0000  0.5000  1
  As  As2  6  0.0000  0.0000  0.2341  1
  O  O3  18  0.0313  0.4219  0.1185  1
  O  O4  6  0.0000  0.0000  0.3040  1
]