data_[As4Ru4S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7287]
_cell_length_b [5.9623]
_cell_length_c [5.7869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [AsRuS]
_chemical_formula_sum '[As4 Ru4 S4]'
_cell_volume [195.8524]
_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  0.3713  0.1310  0.8688  1
  As  As1  2  0.6293  0.3672  0.4051  1
  Ru  Ru2  2  0.2095  0.2512  0.4624  1
  Ru  Ru3  2  0.7762  0.2465  0.0423  1
  S  S4  2  0.1511  0.3856  0.0809  1
  S  S5  2  0.8627  0.1296  0.6546  1
]