data_[Be2Cu13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5199]
_cell_length_b [5.9675]
_cell_length_c [6.6249]
_cell_angle_alpha [80.6184]
_cell_angle_beta [87.7397]
_cell_angle_gamma [81.0760]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Be2Cu13]
_chemical_formula_sum '[Be2 Cu13]'
_cell_volume [174.1494]
_cell_formula_units_Z [1]
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  0.3461  0.6882  0.9914  1.0
  Cu  Cu1  2  0.1116  0.8985  0.6562  1.0
  Cu  Cu2  2  0.1281  0.6653  0.3520  1.0
  Cu  Cu3  2  0.1673  0.3502  0.1038  1.0
  Cu  Cu4  2  0.3384  0.4825  0.7292  1.0
  Cu  Cu5  2  0.3635  0.2247  0.4577  1.0
  Cu  Cu6  2  0.4832  0.9498  0.1889  1.0
  Cu  Cu7  1  0.0000  0.0000  0.0000  1.0
]