data_[La9Pm3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1941]
_cell_length_b [5.1941]
_cell_length_c [25.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La3PmNi8]
_chemical_formula_sum '[La9 Pm3 Ni24]'
_cell_volume [595.0655]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.3748  1
  La  La1  3  0.0000  0.0000  0.5000  1
  La  La2  3  0.0000  0.0000  1.0000  1
  Pm  Pm3  3  0.0000  0.0000  0.8752  1
  Ni  Ni4  9  0.0014  0.5007  0.4382  1
  Ni  Ni5  9  0.1670  0.3339  0.2701  1
  Ni  Ni6  3  0.0000  0.0000  0.1877  1
  Ni  Ni7  3  0.0000  0.0000  0.6874  1
]