data_[Sr4Co2F16]
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 [C2/m]
_cell_length_a [10.2170]
_cell_length_b [7.6228]
_cell_length_c [4.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2CoF8]
_chemical_formula_sum '[Sr4 Co2 F16]'
_cell_volume [341.8051]
_cell_formula_units_Z [2]
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  4  0.1616  0.5000  0.3657  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.1251  0.1728  0.2625  1
  F  F3  4  0.0923  0.5000  0.8116  1
  F  F4  4  0.1041  0.0000  0.7818  1
]