data_[Be2Zn3]
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 [P-3m1]
_cell_length_a [3.9524]
_cell_length_b [3.9524]
_cell_length_c [4.7747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Be2Zn3]
_chemical_formula_sum '[Be2 Zn3]'
_cell_volume [64.5938]
_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  0.3333  0.6667  0.1256  1.0
  Zn  Zn1  2  0.3333  0.6667  0.6326  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
]