data_[Be4Zn8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0432]
_cell_length_b [2.5548]
_cell_length_c [6.2056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeZn2]
_chemical_formula_sum '[Be4 Zn8]'
_cell_volume [151.4288]
_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  0.0273  0.5000  0.3069  1
  Zn  Zn1  4  0.1332  0.0000  0.0333  1
  Zn  Zn2  4  0.1775  0.0000  0.6257  1
]