data_[Ba2Cr4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3985]
_cell_length_b [8.1388]
_cell_length_c [4.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCr2F8]
_chemical_formula_sum '[Ba2 Cr4 F16]'
_cell_volume [342.0858]
_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
  Cr  Cr1  4  0.1202  0.5000  0.2852  1
  F  F2  8  0.1084  0.2693  0.2761  1
  F  F3  4  0.0847  0.5000  0.7734  1
  F  F4  4  0.1978  0.0000  0.6597  1
]