data_[Li2Be2Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4733]
_cell_length_b [4.5600]
_cell_length_c [7.0233]
_cell_angle_alpha [90.1702]
_cell_angle_beta [103.1568]
_cell_angle_gamma [99.1803]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiBeCu4]
_chemical_formula_sum '[Li2 Be2 Cu8]'
_cell_volume [137.6016]
_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
[
  Li  Li0  2  0.2063  0.3609  0.4540  1
  Be  Be1  2  0.3246  0.1257  0.0507  1
  Cu  Cu2  2  0.0586  0.8463  0.2588  1
  Cu  Cu3  2  0.1062  0.6818  0.8902  1
  Cu  Cu4  2  0.3700  0.9010  0.6333  1
  Cu  Cu5  2  0.4885  0.5937  0.1893  1
]