data_[Ba2As4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4170]
_cell_length_b [5.4052]
_cell_length_c [6.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAs2F8]
_chemical_formula_sum '[Ba2 As4 F16]'
_cell_volume [374.0301]
_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  2  0.0000  0.0000  0.0000  1.0
  As  As1  4  0.1658  0.5000  0.6409  1.0
  F  F2  8  0.1985  0.2474  0.8142  1.0
  F  F3  4  0.0002  0.5000  0.7657  1.0
  F  F4  4  0.1452  0.0000  0.3730  1.0
]