data_[Yb4Fe4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5497]
_cell_length_b [7.5290]
_cell_length_c [6.3520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbFeF4]
_chemical_formula_sum '[Yb4 Fe4 F16]'
_cell_volume [300.6659]
_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
[
  Yb  Yb0  4  0.0000  0.2458  0.5000  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  2  0.0000  0.5000  0.0000  1.0
  F  F3  8  0.1406  0.2039  0.2562  1.0
  F  F4  4  0.0488  0.5000  0.7261  1.0
  F  F5  4  0.1581  0.0000  0.7636  1.0
]