data_[Sr6Ag6Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9189]
_cell_length_b [4.9189]
_cell_length_c [27.5412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrAgBi]
_chemical_formula_sum '[Sr6 Ag6 Bi6]'
_cell_volume [577.1037]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.1043  1.0
  Sr  Sr1  3  0.0000  0.0000  0.9438  1.0
  Ag  Ag2  3  0.0000  0.0000  0.6936  1.0
  Ag  Ag3  3  0.0000  0.0000  0.8314  1.0
  Bi  Bi4  3  0.0000  0.0000  0.3521  1.0
  Bi  Bi5  3  0.0000  0.0000  0.5230  1.0
]