data_[La10Pm16Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.8249]
_cell_length_b [9.8249]
_cell_length_c [10.1305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La5Pm8Sc]
_chemical_formula_sum '[La10 Pm16 Sc2]'
_cell_volume [977.8857]
_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  8  0.1048  0.7872  0.0824  1
  La  La1  2  0.0000  0.0000  0.5000  1
  Pm  Pm2  8  0.0685  0.6677  0.4106  1
  Pm  Pm3  8  0.0780  0.8101  0.7459  1
  Sc  Sc4  2  0.0000  0.5000  0.7500  1
]