data_[As3Ru2O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1099]
_cell_length_b [3.0308]
_cell_length_c [6.0732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [As3Ru2O]
_chemical_formula_sum '[As3 Ru2 O1]'
_cell_volume [94.0362]
_cell_formula_units_Z [1]
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  1  0.1749  0.5000  0.6359  1
  As  As1  1  0.3504  0.0000  0.1075  1
  As  As2  1  0.8369  0.5000  0.3610  1
  Ru  Ru3  1  0.5053  0.0000  0.4915  1
  Ru  Ru4  1  0.9964  0.5000  0.9946  1
  O  O5  1  0.6361  0.0000  0.9095  1
]