data_[Y4Pa4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0132]
_cell_length_b [6.0530]
_cell_length_c [7.1418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YPaRu]
_chemical_formula_sum '[Y4 Pa4 Ru4]'
_cell_volume [290.4489]
_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
[
  Y  Y0  4  0.3508  0.1404  0.1362  1
  Pa  Pa1  4  0.0897  0.6571  0.1965  1
  Ru  Ru2  4  0.3202  0.6271  0.9839  1
]