data_[Ba1Li2Cr1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8869]
_cell_length_b [4.9918]
_cell_length_c [7.3792]
_cell_angle_alpha [80.4168]
_cell_angle_beta [80.8130]
_cell_angle_gamma [76.8841]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLi2CrF8]
_chemical_formula_sum '[Ba1 Li2 Cr1 F8]'
_cell_volume [171.4730]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.4541  0.4525  0.7148  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2070  0.7805  0.1887  1.0
  F  F4  2  0.2118  0.7836  0.8184  1.0
  F  F5  2  0.2478  0.2301  0.9471  1.0
  F  F6  2  0.3503  0.3228  0.5055  1.0
]