data_[Be4Zn4Ag4]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0220]
_cell_length_b [2.8374]
_cell_length_c [5.8972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeZnAg]
_chemical_formula_sum '[Be4 Zn4 Ag4]'
_cell_volume [161.3107]
_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  0.1678  0.5000  0.5424  1
  Zn  Zn1  4  0.1885  0.5000  0.1370  1
  Ag  Ag2  4  0.0236  0.0000  0.7514  1
]