data_[Pm12Nd12Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7662]
_cell_length_b [13.3123]
_cell_length_c [18.7077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Nd3Ni2]
_chemical_formula_sum '[Pm12 Nd12 Ni8]'
_cell_volume [937.9543]
_cell_formula_units_Z [4]
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  8  0.0000  0.3302  0.5588  1
  Pm  Pm1  4  0.0000  0.4127  0.2500  1
  Nd  Nd2  8  0.0000  0.0614  0.5928  1
  Nd  Nd3  4  0.0000  0.3139  0.7500  1
  Ni  Ni4  8  0.0000  0.2816  0.1358  1
]