data_[Be2Cu2O10F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3068]
_cell_length_b [6.5458]
_cell_length_c [10.6300]
_cell_angle_alpha [72.6181]
_cell_angle_beta [84.7558]
_cell_angle_gamma [67.5518]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BeCuO5F4]
_chemical_formula_sum '[Be2 Cu2 O10 F8]'
_cell_volume [325.5850]
_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
[
  Be  Be0  2  0.3900  0.0206  0.7253  1
  Cu  Cu1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  1  0.0000  0.5000  0.5000  1
  O  O3  2  0.0169  0.9150  0.5457  1
  O  O4  2  0.1785  0.1474  0.0485  1
  O  O5  2  0.2908  0.6109  0.1326  1
  O  O6  2  0.4039  0.5484  0.4592  1
  O  O7  2  0.4652  0.4272  0.8762  1
  F  F8  2  0.1645  0.2781  0.6527  1
  F  F9  2  0.2514  0.9443  0.8663  1
  F  F10  2  0.3471  0.9491  0.2488  1
  F  F11  2  0.4306  0.8466  0.6516  1
]