data_[La5Pr4]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9205]
_cell_length_b [15.0000]
_cell_length_c [15.7914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La5Pr4]
_chemical_formula_sum '[La5 Pr4]'
_cell_volume [1383.0620]
_cell_formula_units_Z [1]
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  1  0.0865  0.5000  0.0607  1
  La  La1  1  0.2869  0.5000  0.5109  1
  La  La2  1  0.4201  0.5000  0.7273  1
  La  La3  1  0.6203  0.5000  0.1764  1
  La  La4  1  0.9503  0.5000  0.8440  1
  Pr  Pr5  1  0.1866  0.5000  0.2858  1
  Pr  Pr6  1  0.5192  0.5000  0.9523  1
  Pr  Pr7  1  0.7478  0.5000  0.3948  1
  Pr  Pr8  1  0.8490  0.5000  0.6192  1
]