data_[Sc4Zn2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6223]
_cell_length_b [6.5961]
_cell_length_c [5.0803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2ZnF8]
_chemical_formula_sum '[Sc4 Zn2 F16]'
_cell_volume [279.8019]
_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
[
  Sc  Sc0  4  0.1806  0.5000  0.4319  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1476  0.1948  0.2957  1.0
  F  F3  4  0.0629  0.5000  0.7451  1.0
  F  F4  4  0.1605  0.0000  0.7919  1.0
]