data_[Ru6Se3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9700]
_cell_length_b [2.9700]
_cell_length_c [28.0156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ru2SeCl]
_chemical_formula_sum '[Ru6 Se3 Cl3]'
_cell_volume [214.0096]
_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
[
  Ru  Ru0  3  0.0000  0.0000  0.2547  1
  Ru  Ru1  3  0.0000  0.0000  0.9955  1
  Se  Se2  3  0.0000  0.0000  0.5216  1
  Cl  Cl3  3  0.0000  0.0000  0.7281  1
]