data_[Ba2Be4Cu2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0618]
_cell_length_b [5.3981]
_cell_length_c [7.8029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaBe2CuF8]
_chemical_formula_sum '[Ba2 Be4 Cu2 F16]'
_cell_volume [337.0219]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Be  Be1  4  0.1267  0.5000  0.7845  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0182  0.2610  0.7940  1.0
  F  F4  4  0.1884  0.5000  0.6002  1.0
  F  F5  4  0.2327  0.0000  0.0599  1.0
]