data_[La6Pr26]
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 [Amm2]
_cell_length_a [10.7372]
_cell_length_b [10.4277]
_cell_length_c [10.4364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Pr13]
_chemical_formula_sum '[La6 Pr26]'
_cell_volume [1168.5060]
_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  4  0.2498  0.0000  0.0002  1.0
  La  La1  2  0.0000  0.0000  0.7493  1.0
  Pr  Pr2  8  0.2504  0.2498  0.2500  1.0
  Pr  Pr3  4  0.0000  0.2494  0.4999  1.0
  Pr  Pr4  4  0.2510  0.0000  0.4997  1.0
  Pr  Pr5  4  0.5000  0.2496  0.5001  1.0
  Pr  Pr6  2  0.0000  0.0000  0.2507  1.0
  Pr  Pr7  2  0.5000  0.0000  0.2504  1.0
  Pr  Pr8  2  0.5000  0.0000  0.7497  1.0
]