data_[Sb4Ru4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2549]
_cell_length_b [6.1874]
_cell_length_c [6.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbRuS]
_chemical_formula_sum '[Sb4 Ru4 S4]'
_cell_volume [225.4336]
_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
[
  Sb  Sb0  4  0.1491  0.6290  0.3703  1.0
  Ru  Ru1  4  0.2964  0.0129  0.3025  1.0
  S  S2  4  0.3526  0.1335  0.6787  1.0
]