data_[Sr12Cl20F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6237]
_cell_length_b [9.6427]
_cell_length_c [9.6130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Cl5F]
_chemical_formula_sum '[Sr12 Cl20 F4]'
_cell_volume [1108.1688]
_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  4  0.1589  0.5000  0.1579  1
  Sr  Sr1  4  0.2099  0.5000  0.6187  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Sr  Sr3  2  0.0000  0.0000  0.5000  1
  Cl  Cl4  8  0.1886  0.1865  0.6321  1
  Cl  Cl5  4  0.0000  0.2958  0.0000  1
  Cl  Cl6  4  0.0256  0.5000  0.3437  1
  Cl  Cl7  4  0.2357  0.0000  0.0629  1
  F  F8  4  0.0808  0.0000  0.2907  1
]