data_[La6Pr14]
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 [C2/m]
_cell_length_a [19.0111]
_cell_length_b [5.2586]
_cell_length_c [7.4383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Pr7]
_chemical_formula_sum '[La6 Pr14]'
_cell_volume [728.9314]
_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  0.1995  0.0000  0.5991  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Pr  Pr2  4  0.0998  0.5000  0.3003  1
  Pr  Pr3  4  0.1004  0.5000  0.8013  1
  Pr  Pr4  4  0.2000  0.0000  0.1010  1
  Pr  Pr5  2  0.0000  0.0000  0.5000  1
]