data_[As4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6638]
_cell_length_b [2.9366]
_cell_length_c [6.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsRu2]
_chemical_formula_sum '[As4 Ru8]'
_cell_volume [175.7951]
_cell_formula_units_Z [4]
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
[
  As  As0  2  0.1990  0.5000  0.3676  1
  As  As1  2  0.4669  0.5000  0.9602  1
  Ru  Ru2  2  0.0486  0.0000  0.6207  1
  Ru  Ru3  2  0.2012  0.5000  0.9789  1
  Ru  Ru4  2  0.3180  0.0000  0.6421  1
  Ru  Ru5  2  0.4329  0.0000  0.2638  1
]