data_[P1Pd1Ru1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8569]
_cell_length_b [2.8810]
_cell_length_c [6.4328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PPdRuC]
_chemical_formula_sum '[P1 Pd1 Ru1 C1]'
_cell_volume [52.6444]
_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  0.6536  0.5000  0.2977  1
  Pd  Pd1  1  0.2397  0.0000  0.5394  1
  Ru  Ru2  1  0.5748  0.5000  0.9344  1
  C  C3  1  0.0636  0.0000  0.8492  1
]