data_[La4Pm12Sm20]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5074]
_cell_length_b [11.6329]
_cell_length_c [9.9262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPm3Sm5]
_chemical_formula_sum '[La4 Pm12 Sm20]'
_cell_volume [1380.2437]
_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  4  0.2457  0.0000  0.4166  1
  Pm  Pm1  4  0.0045  0.5000  0.8152  1
  Pm  Pm2  4  0.0171  0.0000  0.3547  1
  Pm  Pm3  2  0.0000  0.0000  0.0000  1
  Pm  Pm4  2  0.0000  0.5000  0.5000  1
  Sm  Sm5  8  0.1430  0.7504  0.7420  1
  Sm  Sm6  4  0.0000  0.2547  0.0000  1
  Sm  Sm7  4  0.2237  0.5000  0.2217  1
  Sm  Sm8  4  0.2265  0.0000  0.0518  1
]