data_[Pm4Nd12Ni12]
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 [C2/m]
_cell_length_a [9.3301]
_cell_length_b [10.3280]
_cell_length_c [7.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm(NdNi)3]
_chemical_formula_sum '[Pm4 Nd12 Ni12]'
_cell_volume [674.6343]
_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  4  0.2463  0.5000  0.8756  1
  Nd  Nd1  4  0.0000  0.1775  0.5000  1
  Nd  Nd2  4  0.0000  0.2495  0.0000  1
  Nd  Nd3  4  0.1671  0.5000  0.3763  1
  Ni  Ni4  8  0.2385  0.2579  0.7051  1
  Ni  Ni5  4  0.0586  0.0000  0.8182  1
]