data_[La4Pr2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0071]
_cell_length_b [4.8192]
_cell_length_c [13.8590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2PrCu2]
_chemical_formula_sum '[La4 Pr2 Cu4]'
_cell_volume [265.3099]
_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  0.0443  0.2500  0.1079  1.0
  La  La1  2  0.2689  0.7500  0.5345  1.0
  Pr  Pr2  2  0.3664  0.2500  0.7277  1.0
  Cu  Cu3  2  0.1569  0.2500  0.3173  1.0
  Cu  Cu4  2  0.4781  0.2500  0.9481  1.0
]