data_[Ce10Pr4Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2230]
_cell_length_b [9.5122]
_cell_length_c [9.6390]
_cell_angle_alpha [108.4143]
_cell_angle_beta [100.5065]
_cell_angle_gamma [101.4713]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce5Pr2Ru3]
_chemical_formula_sum '[Ce10 Pr4 Ru6]'
_cell_volume [511.7704]
_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
[
  Ce  Ce0  2  0.0305  0.9836  0.2871  1
  Ce  Ce1  2  0.0761  0.2599  0.1255  1
  Ce  Ce2  2  0.2744  0.4680  0.4910  1
  Ce  Ce3  2  0.4092  0.8390  0.7364  1
  Ce  Ce4  2  0.4710  0.7232  0.0282  1
  Pr  Pr5  2  0.0662  0.4027  0.8066  1
  Pr  Pr6  2  0.4578  0.1803  0.6044  1
  Ru  Ru7  2  0.0982  0.8090  0.5228  1
  Ru  Ru8  2  0.2533  0.0029  0.9987  1
  Ru  Ru9  2  0.3913  0.4779  0.1883  1
]