data_[Pm4Nd2Y16]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0868]
_cell_length_b [16.1024]
_cell_length_c [5.9406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2NdY8]
_chemical_formula_sum '[Pm4 Nd2 Y16]'
_cell_volume [738.5760]
_cell_formula_units_Z [2]
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  4  0.0000  0.3056  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Y  Y2  8  0.2144  0.1158  0.1669  1
  Y  Y3  4  0.0000  0.2096  0.5000  1
  Y  Y4  4  0.0763  0.5000  0.2956  1
]