data_[La12Pm3Y1]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2350]
_cell_length_b [5.2350]
_cell_length_c [20.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La12Pm3Y]
_chemical_formula_sum '[La12 Pm3 Y1]'
_cell_volume [573.9080]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1244  1
  La  La1  4  0.0000  0.5000  0.3744  1
  La  La2  2  0.5000  0.5000  0.2495  1
  La  La3  1  0.5000  0.5000  0.0000  1
  La  La4  1  0.5000  0.5000  0.5000  1
  Pm  Pm5  2  0.0000  0.0000  0.2491  1
  Pm  Pm6  1  0.0000  0.0000  0.5000  1
  Y  Y7  1  0.0000  0.0000  0.0000  1
]