data_[P2Ru1]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7914]
_cell_length_b [3.0141]
_cell_length_c [4.5310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [P2Ru]
_chemical_formula_sum '[P2 Ru1]'
_cell_volume [49.1784]
_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
[
  P  P0  1  0.0094  0.0000  0.5114  1
  P  P1  1  0.7187  0.5000  0.1572  1
  Ru  Ru2  1  0.5385  0.5000  0.6362  1
]