data_[Be4Zn4Cu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5856]
_cell_length_b [10.1958]
_cell_length_c [4.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeZnCu4]
_chemical_formula_sum '[Be4 Zn4 Cu16]'
_cell_volume [281.6233]
_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  4  0.0000  0.0016  0.2500  1.0
  Zn  Zn1  4  0.0000  0.3970  0.2500  1.0
  Cu  Cu2  8  0.1030  0.1836  0.5543  1.0
  Cu  Cu3  8  0.2137  0.3932  0.8618  1.0
]