data_[Tb4Pm12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2633]
_cell_length_b [3.7072]
_cell_length_c [14.1002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TbPm3Ni]
_chemical_formula_sum '[Tb4 Pm12 Ni4]'
_cell_volume [577.3843]
_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
[
  Tb  Tb0  2  0.2775  0.5000  0.9974  1
  Tb  Tb1  2  0.3848  0.5000  0.2690  1
  Pm  Pm2  2  0.0111  0.0000  0.9149  1
  Pm  Pm3  2  0.0546  0.5000  0.1529  1
  Pm  Pm4  2  0.0625  0.5000  0.5120  1
  Pm  Pm5  2  0.2238  0.0000  0.3923  1
  Pm  Pm6  2  0.2308  0.0000  0.7572  1
  Pm  Pm7  2  0.4005  0.5000  0.6351  1
  Ni  Ni8  2  0.0612  0.5000  0.7858  1
  Ni  Ni9  2  0.2324  0.0000  0.1250  1
]