data_[La2Pr4Cu4]
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 [5.0826]
_cell_length_b [4.7806]
_cell_length_c [11.4646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(PrCu)2]
_chemical_formula_sum '[La2 Pr4 Cu4]'
_cell_volume [275.8893]
_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  0.3108  0.7500  0.7556  1.0
  Pr  Pr1  2  0.1474  0.7500  0.1165  1.0
  Pr  Pr2  2  0.2519  0.2500  0.5096  1.0
  Cu  Cu3  2  0.2090  0.7500  0.3614  1.0
  Cu  Cu4  2  0.3933  0.2500  0.9991  1.0
]