data_[Pm5Nd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6643]
_cell_length_b [3.6643]
_cell_length_c [20.7190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pm5Nd3]
_chemical_formula_sum '[Pm5 Nd3]'
_cell_volume [278.1973]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.2505  1
  Pm  Pm1  2  0.5000  0.5000  0.3748  1
  Pm  Pm2  1  0.0000  0.0000  0.0000  1
  Nd  Nd3  2  0.5000  0.5000  0.1253  1
  Nd  Nd4  1  0.0000  0.0000  0.5000  1
]