data_[Zr4Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9167]
_cell_length_b [3.2634]
_cell_length_c [6.3614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAg2]
_chemical_formula_sum '[Zr4 Ag8]'
_cell_volume [237.5780]
_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  0.1644  0.0000  0.0898  1.0
  Ag  Ag1  4  0.0074  0.5000  0.7387  1.0
  Ag  Ag2  4  0.1678  0.0000  0.5764  1.0
]