data_[Be4Zn8Cu12]
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 [Cmmm]
_cell_length_a [3.9442]
_cell_length_b [11.8269]
_cell_length_c [6.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BeZn2Cu3]
_chemical_formula_sum '[Be4 Zn8 Cu12]'
_cell_volume [287.9902]
_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  0.3379  0.0000  1
  Zn  Zn1  4  0.0000  0.3334  0.5000  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  8  0.0000  0.1756  0.2174  1
  Cu  Cu5  4  0.0000  0.5000  0.2361  1
]