data_[Zn36Ag18Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7552]
_cell_length_b [9.7552]
_cell_length_c [12.0428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn12Ag6Sn]
_chemical_formula_sum '[Zn36 Ag18 Sn3]'
_cell_volume [992.5078]
_cell_formula_units_Z [3]
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
[
  Zn  Zn0  18  0.0351  0.6028  0.5823  1.0
  Zn  Zn1  18  0.0692  0.4802  0.2163  1.0
  Ag  Ag2  18  0.0436  0.1888  0.2882  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]