data_[Be8Cu8Te8O8]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.3308]
_cell_length_b [11.8860]
_cell_length_c [7.1632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [BeCuTeO]
_chemical_formula_sum '[Be8 Cu8 Te8 O8]'
_cell_volume [539.0183]
_cell_formula_units_Z [8]
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  0.1811  0.5988  0.4375  1
  Cu  Cu1  8  0.0281  0.2350  0.2494  1
  Te  Te2  8  0.0700  0.5336  0.7518  1
  O  O3  8  0.2231  0.7183  0.3902  1
]