data_[La4Pr2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1954]
_cell_length_b [4.8657]
_cell_length_c [11.1579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2PrRu2]
_chemical_formula_sum '[La4 Pr2 Ru4]'
_cell_volume [274.8582]
_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
[
  La  La0  2  0.1645  0.2500  0.1093  1.0
  La  La1  2  0.2184  0.2500  0.4472  1.0
  Pr  Pr2  2  0.2971  0.2500  0.7874  1.0
  Ru  Ru3  2  0.2676  0.7500  0.6476  1.0
  Ru  Ru4  2  0.3195  0.7500  0.9550  1.0
]