data_[La12Pm16In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4686]
_cell_length_b [13.8334]
_cell_length_c [6.5326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3(Pm2In)2]
_chemical_formula_sum '[La12 Pm16 In8]'
_cell_volume [1210.6252]
_cell_formula_units_Z [4]
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  0.1089  0.0671  0.5864  1
  La  La1  4  0.0000  0.4679  0.2500  1
  Pm  Pm2  8  0.1094  0.2169  0.0738  1
  Pm  Pm3  8  0.1543  0.3299  0.5800  1
  In  In4  8  0.2070  0.4291  0.0418  1
]