data_[Pr4Cu2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9437]
_cell_length_b [4.2198]
_cell_length_c [8.0963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2CuRu]
_chemical_formula_sum '[Pr4 Cu2 Ru2]'
_cell_volume [190.3817]
_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
[
  Pr  Pr0  2  0.2162  0.7500  0.9370  1.0
  Pr  Pr1  2  0.2228  0.7500  0.4221  1.0
  Cu  Cu2  2  0.3597  0.2500  0.7144  1.0
  Ru  Ru3  2  0.3542  0.2500  0.2180  1.0
]