data_[Sr20Co12F76]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [14.4908]
_cell_length_b [14.4908]
_cell_length_c [7.4266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sr5Co3F19]
_chemical_formula_sum '[Sr20 Co12 F76]'
_cell_volume [1559.4657]
_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
[
  Sr  Sr0  8  0.0494  0.7789  0.0000  1
  Sr  Sr1  8  0.0754  0.2486  0.5000  1
  Sr  Sr2  4  0.0000  0.5000  0.2500  1
  Co  Co3  8  0.1603  0.6766  0.5000  1
  Co  Co4  4  0.0000  0.0000  0.2530  1
  F  F5  16  0.0503  0.1228  0.2380  1
  F  F6  16  0.0851  0.2998  0.1799  1
  F  F7  16  0.0992  0.7556  0.3251  1
  F  F8  8  0.0468  0.6084  0.5000  1
  F  F9  8  0.0788  0.6171  0.0000  1
  F  F10  8  0.2298  0.7558  0.0000  1
  F  F11  2  0.0000  0.0000  0.0000  1
  F  F12  2  0.0000  0.0000  0.5000  1
]