data_[Yb4Ni4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8173]
_cell_length_b [10.7156]
_cell_length_c [5.1298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YbNiF4]
_chemical_formula_sum '[Yb4 Ni4 F16]'
_cell_volume [291.7522]
_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  0.3635  0.2500  1.0
  Ni  Ni1  4  0.0000  0.0860  0.7500  1.0
  F  F2  8  0.1504  0.2114  0.6436  1.0
  F  F3  8  0.2482  0.0314  0.2441  1.0
]