data_[Be4Zn2Cu12]
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/m]
_cell_length_a [8.2141]
_cell_length_b [3.8946]
_cell_length_c [7.3246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2ZnCu6]
_chemical_formula_sum '[Be4 Zn2 Cu12]'
_cell_volume [201.6793]
_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
[
  Be  Be0  4  0.1774  0.5000  0.7490  1.0
  Zn  Zn1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  4  0.0117  0.0000  0.1705  1.0
  Cu  Cu3  4  0.1515  0.5000  0.4080  1.0
  Cu  Cu4  4  0.1740  0.5000  0.0655  1.0
]