data_[Yb4Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4135]
_cell_length_b [7.9360]
_cell_length_c [8.2645]
_cell_angle_alpha [95.3844]
_cell_angle_beta [106.2634]
_cell_angle_gamma [95.6857]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YbBeF4]
_chemical_formula_sum '[Yb4 Be4 F16]'
_cell_volume [336.4110]
_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  2  0.2672  0.8727  0.0812  1
  Yb  Yb1  2  0.2902  0.4343  0.1341  1
  Be  Be2  2  0.2528  0.8536  0.6160  1
  Be  Be3  2  0.3089  0.2023  0.5147  1
  F  F4  2  0.0188  0.6447  0.1341  1
  F  F5  2  0.0266  0.2562  0.4378  1
  F  F6  2  0.1419  0.1443  0.1107  1
  F  F7  2  0.2530  0.9985  0.4941  1
  F  F8  2  0.3306  0.9415  0.8009  1
  F  F9  2  0.3616  0.6338  0.9427  1
  F  F10  2  0.4471  0.2830  0.6959  1
  F  F11  2  0.4837  0.7460  0.5908  1
]