data_[K2Ba1Co1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5537]
_cell_length_b [7.7865]
_cell_length_c [5.9950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2BaCoF8]
_chemical_formula_sum '[K2 Ba1 Co1 F8]'
_cell_volume [211.1783]
_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
[
  K  K0  2  0.5000  0.2327  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1079  0.1732  0.8171  1.0
  F  F4  2  0.3444  0.0000  0.1737  1.0
  F  F5  2  0.4763  0.5000  0.7547  1.0
]