data_[Ba1Co1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1839]
_cell_length_b [5.2922]
_cell_length_c [6.9786]
_cell_angle_alpha [108.5672]
_cell_angle_beta [92.1733]
_cell_angle_gamma [109.2301]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCoH2F8]
_chemical_formula_sum '[Ba1 Co1 H2 F8]'
_cell_volume [169.1656]
_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
  Co  Co1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3600  0.4867  0.2909  1.0
  F  F3  2  0.0947  0.2862  0.9006  1.0
  F  F4  2  0.1737  0.8259  0.8146  1.0
  F  F5  2  0.3064  0.1932  0.2031  1.0
  F  F6  2  0.4064  0.6909  0.3831  1.0
]