data_[Ba1Li2Co1F8]
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
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4151]
_cell_length_b [4.8411]
_cell_length_c [7.9832]
_cell_angle_alpha [79.0246]
_cell_angle_beta [86.6823]
_cell_angle_gamma [87.9482]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLi2CoF8]
_chemical_formula_sum '[Ba1 Li2 Co1 F8]'
_cell_volume [167.1781]
_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  0.4752  0.5347  0.8229  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1860  0.1482  0.1573  1.0
  F  F4  2  0.1989  0.2166  0.8161  1.0
  F  F5  2  0.2808  0.7184  0.0071  1.0
  F  F6  2  0.4914  0.7128  0.6040  1.0
]