data_[Pr2Zn4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4868]
_cell_length_b [6.8592]
_cell_length_c [5.3453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrZn2Ru]
_chemical_formula_sum '[Pr2 Zn4 Ru2]'
_cell_volume [155.1723]
_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  0.4477  0.2500  0.8515  1.0
  Zn  Zn1  4  0.1045  0.0584  0.2884  1.0
  Ru  Ru2  2  0.3507  0.7500  0.5967  1.0
]