data_[P2Ru4Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5997]
_cell_length_b [2.9627]
_cell_length_c [4.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PRu2Pt]
_chemical_formula_sum '[P2 Ru4 Pt2]'
_cell_volume [113.4072]
_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
[
  P  P0  2  0.0025  0.5000  0.4160  1
  Ru  Ru1  2  0.2068  0.0000  0.7419  1
  Ru  Ru2  2  0.4991  0.5000  0.0160  1
  Pt  Pt3  2  0.2916  0.5000  0.3261  1
]