data_[Zr4Al4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2068]
_cell_length_b [4.4399]
_cell_length_c [6.4889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAlAg]
_chemical_formula_sum '[Zr4 Al4 Ag4]'
_cell_volume [228.6096]
_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
[
  Zr  Zr0  4  0.0286  0.0000  0.2783  1.0
  Al  Al1  4  0.1627  0.5000  0.6836  1.0
  Ag  Ag2  4  0.1704  0.5000  0.1241  1.0
]