data_[Ag21P18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1379]
_cell_length_b [6.1379]
_cell_length_c [24.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag7P6]
_chemical_formula_sum '[Ag21 P18]'
_cell_volume [814.1001]
_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
[
  Ag  Ag0  18  0.0163  0.5081  0.0745  1
  Ag  Ag1  3  -0.0000  -0.0000  0.5000  1
  P  P2  6  0.0000  0.0000  0.1092  1
  P  P3  6  0.0000  0.0000  0.1914  1
  P  P4  6  0.0000  0.0000  0.3318  1
]