data_[Pm4Sm12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0985]
_cell_length_b [3.7368]
_cell_length_c [13.9967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PmSm3Ni]
_chemical_formula_sum '[Pm4 Sm12 Ni4]'
_cell_volume [580.5221]
_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  2  0.1010  0.0000  0.7185  1
  Pm  Pm1  2  0.2207  0.0000  0.9965  1
  Sm  Sm2  2  0.1109  0.0000  0.3721  1
  Sm  Sm3  2  0.2747  0.5000  0.2394  1
  Sm  Sm4  2  0.2788  0.5000  0.6110  1
  Sm  Sm5  2  0.4335  0.0000  0.4797  1
  Sm  Sm6  2  0.4371  0.0000  0.8527  1
  Sm  Sm7  2  0.4914  0.5000  0.0962  1
  Ni  Ni8  2  0.2574  0.5000  0.8618  1
  Ni  Ni9  2  0.4554  0.0000  0.2305  1
]