data_[Pr4Nd6Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [12.3570]
_cell_length_b [3.7709]
_cell_length_c [9.1888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Nd3Ni2]
_chemical_formula_sum '[Pr4 Nd6 Ni4]'
_cell_volume [390.7477]
_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
[
  Pr  Pr0  4  0.1668  0.0000  0.8062  1.0
  Nd  Nd1  4  0.1154  0.5000  0.4272  1.0
  Nd  Nd2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  4  0.1631  0.0000  0.2292  1.0
]