data_[Cd2B2O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5300]
_cell_length_b [5.3707]
_cell_length_c [5.6774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdBO2F]
_chemical_formula_sum '[Cd2 B2 O4 F2]'
_cell_volume [127.0758]
_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
[
  Cd  Cd0  2  0.2835  0.7500  0.7069  1
  B  B1  2  0.0071  0.7500  0.1094  1
  O  O2  2  0.0590  0.2500  0.6792  1
  O  O3  2  0.1886  0.2500  0.1420  1
  F  F4  2  0.3369  0.7500  0.1456  1
]