data_[Sr2Sc4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6289]
_cell_length_b [9.9006]
_cell_length_c [4.0783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSc2F8]
_chemical_formula_sum '[Sr2 Sc4 F16]'
_cell_volume [263.8193]
_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  1.0
  Sc  Sc1  4  0.0000  0.3238  0.5000  1.0
  F  F2  8  0.1890  0.1395  0.5671  1.0
  F  F3  4  0.0000  0.2599  0.0000  1.0
  F  F4  4  0.1072  0.5000  0.7752  1.0
]