data_[V2P2H2Ru2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.9338]
_cell_length_b [2.9963]
_cell_length_c [5.7126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VPHRuS]
_chemical_formula_sum '[V2 P2 H2 Ru2 S2]'
_cell_volume [123.3075]
_cell_formula_units_Z [2]
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
[
  V  V0  2  0.4930  0.5000  0.9778  1
  P  P1  2  0.0046  0.0000  0.5528  1
  Ru  Ru2  2  0.1769  0.5000  0.4233  1
  H  H3  2  0.3698  0.0000  0.8269  1
  S  S4  2  0.2188  0.5000  0.0429  1
]