data_[La3Pm4Y5]
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 [P-1]
_cell_length_a [6.3053]
_cell_length_b [7.2759]
_cell_length_c [8.9349]
_cell_angle_alpha [89.8456]
_cell_angle_beta [89.8516]
_cell_angle_gamma [89.9039]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3Pm4Y5]
_chemical_formula_sum '[La3 Pm4 Y5]'
_cell_volume [409.9011]
_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  2  0.3332  0.2481  0.1681  1
  La  La1  1  0.5000  0.5000  0.5000  1
  Pm  Pm2  2  0.1682  0.0009  0.8326  1
  Pm  Pm3  2  0.3309  0.7504  0.1676  1
  Y  Y4  2  0.0019  0.7507  0.4995  1
  Y  Y5  2  0.1656  0.5001  0.8317  1
  Y  Y6  1  0.5000  0.0000  0.5000  1
]