data_[U2P2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5942]
_cell_length_b [5.4712]
_cell_length_c [3.9013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UPRu2]
_chemical_formula_sum '[U2 P2 Ru4]'
_cell_volume [139.8854]
_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
[
  U  U0  2  0.0000  0.5000  0.5000  1
  P  P1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  4  0.2148  0.0000  0.0637  1
]