data_[Ba4Co4Ni4F24]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.9369]
_cell_length_b [7.2430]
_cell_length_c [10.3305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaCoNiF6]
_chemical_formula_sum '[Ba4 Co4 Ni4 F24]'
_cell_volume [519.0469]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.8341  1
  Co  Co1  4  0.0000  0.0000  0.5000  1
  Ni  Ni2  4  0.2500  0.2500  0.2500  1
  F  F3  16  0.2005  0.4569  0.6341  1
  F  F4  4  0.0000  0.2500  0.1444  1
  F  F5  4  0.0000  0.2500  0.3913  1
]