data_[Yb1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [16.8578]
_cell_length_b [3.9853]
_cell_length_c [16.8578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YbF3]
_chemical_formula_sum '[Yb1 F3]'
_cell_volume [980.8263]
_cell_formula_units_Z [1]
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  1  0.0222  0.5000  0.5065  1
  F  F1  1  0.0825  0.0000  0.5242  1
  F  F2  1  0.9207  0.5000  0.3741  1
  F  F3  1  0.9745  0.5000  0.5952  1
]