data_[P4Ru4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7957]
_cell_length_b [5.7999]
_cell_length_c [5.8764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PRuS]
_chemical_formula_sum '[P4 Ru4 S4]'
_cell_volume [183.6732]
_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
[
  P  P0  2  0.1567  0.8803  0.1184  1.0
  P  P1  2  0.3385  0.3737  0.4329  1.0
  Ru  Ru2  2  0.2743  0.0068  0.5402  1.0
  Ru  Ru3  2  0.2746  0.5041  0.0419  1.0
  S  S4  2  0.1589  0.6158  0.6151  1.0
  S  S5  2  0.3351  0.1230  0.9379  1.0
]