data_[Re3Ag6Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8015]
_cell_length_b [2.8015]
_cell_length_c [28.4116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ReAg2Ru]
_chemical_formula_sum '[Re3 Ag6 Ru3]'
_cell_volume [193.1075]
_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
[
  Re  Re0  3  0.0000  0.0000  0.4937  1
  Ag  Ag1  3  0.0000  0.0000  0.0022  1
  Ag  Ag2  3  0.0000  0.0000  0.2481  1
  Ru  Ru3  3  0.0000  0.0000  0.7559  1
]