data_[Cs2As2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9720]
_cell_length_b [4.8083]
_cell_length_c [12.9430]
_cell_angle_alpha [94.5936]
_cell_angle_beta [94.6048]
_cell_angle_gamma [114.1174]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsAsRu]
_chemical_formula_sum '[Cs2 As2 Ru2]'
_cell_volume [223.1515]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  1  0.1637  0.0999  0.8753  1
  Cs  Cs1  1  0.2625  0.6041  0.2798  1
  As  As2  1  0.3884  0.6342  0.6962  1
  As  As3  1  0.6404  0.2648  0.4501  1
  Ru  Ru4  1  0.1371  0.2036  0.5547  1
  Ru  Ru5  1  0.8898  0.6921  0.5908  1
]