data_[Be8Cu4Se4O24]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4065]
_cell_length_b [7.9755]
_cell_length_c [5.6402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2CuSeO6]
_chemical_formula_sum '[Be8 Cu4 Se4 O24]'
_cell_volume [396.5980]
_cell_formula_units_Z [4]
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  8  0.1927  0.4296  0.1233  1
  Cu  Cu1  4  0.0000  0.0983  0.2500  1
  Se  Se2  4  0.0000  0.2696  0.7500  1
  O  O3  8  0.0743  0.2744  0.0885  1
  O  O4  8  0.1261  0.0958  0.7215  1
  O  O5  8  0.1497  0.4296  0.8026  1
]