data_[Yb2Br2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8373]
_cell_length_b [8.5085]
_cell_length_c [18.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YbBrF2]
_chemical_formula_sum '[Yb2 Br2 F4]'
_cell_volume [595.3902]
_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
[
  Yb  Yb0  2  0.0000  0.2481  0.5173  1
  Br  Br1  2  0.5000  0.3235  0.3966  1
  F  F2  2  0.5000  0.2149  0.5741  1
  F  F3  1  0.0000  0.0000  0.4840  1
  F  F4  1  0.0000  0.5000  0.5401  1
]