data_[Pm3Pr8Nd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3935]
_cell_length_b [6.4190]
_cell_length_c [11.0839]
_cell_angle_alpha [73.2263]
_cell_angle_beta [89.9284]
_cell_angle_gamma [80.5962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pm3Pr8Nd]
_chemical_formula_sum '[Pm3 Pr8 Nd1]'
_cell_volume [429.1671]
_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
[
  Pr  Pr0  2  0.0009  0.0003  0.3326  1
  Pr  Pr1  2  0.2495  0.4999  0.9172  1
  Pr  Pr2  2  0.2503  0.5000  0.5830  1
  Pm  Pm3  2  0.2503  0.5006  0.2499  1
  Pr  Pr4  2  0.4992  0.0000  0.1667  1
  Pm  Pm5  1  0.0000  0.0000  0.0000  1
  Nd  Nd6  1  0.5000  0.0000  0.5000  1
]