data_[Sr2Cd4F12]
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 [P2_1/c]
_cell_length_a [6.9306]
_cell_length_b [6.0197]
_cell_length_c [7.8705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrCd2F6]
_chemical_formula_sum '[Sr2 Cd4 F12]'
_cell_volume [311.1887]
_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  0.5000  0.0000  0.5000  1
  Cd  Cd1  4  0.1167  0.5792  0.2272  1
  F  F2  4  0.1337  0.6632  0.9431  1
  F  F3  4  0.1878  0.2385  0.8736  1
  F  F4  4  0.4326  0.6894  0.2712  1
]