data_[La4Pm12Ni12]
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 [C2/m]
_cell_length_a [9.6680]
_cell_length_b [10.0516]
_cell_length_c [6.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(PmNi)3]
_chemical_formula_sum '[La4 Pm12 Ni12]'
_cell_volume [670.8513]
_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
[
  La  La0  4  0.2457  0.0000  0.8900  1
  Pm  Pm1  4  0.0000  0.1796  0.5000  1
  Pm  Pm2  4  0.0000  0.2565  0.0000  1
  Pm  Pm3  4  0.1751  0.5000  0.6023  1
  Ni  Ni4  8  0.2372  0.2554  0.2947  1
  Ni  Ni5  4  0.0604  0.0000  0.1869  1
]