data_[Sr2Cd6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7079]
_cell_length_b [6.4552]
_cell_length_c [6.2486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCd3F6]
_chemical_formula_sum '[Sr2 Cd6 F12]'
_cell_volume [330.7128]
_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  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.1812  0.0000  0.6460  1
  Cd  Cd2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.1031  0.2916  0.3045  1
  F  F4  4  0.2241  0.5000  0.9019  1
]