data_[Tb30Ni56P42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [24.0447]
_cell_length_b [24.0447]
_cell_length_c [3.8299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tb15(Ni4P3)7]
_chemical_formula_sum '[Tb30 Ni56 P42]'
_cell_volume [1917.6001]
_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
[
  Tb  Tb0  6  0.0700  0.2420  0.2500  1
  Tb  Tb1  6  0.0933  0.4133  0.2500  1
  Tb  Tb2  6  0.1177  0.5848  0.2500  1
  Tb  Tb3  6  0.1448  0.7577  0.2500  1
  Tb  Tb4  6  0.2675  0.5608  0.2500  1
  Ni  Ni5  6  0.0069  0.5436  0.7500  1
  Ni  Ni6  6  0.0194  0.6299  0.2500  1
  Ni  Ni7  6  0.0310  0.7148  0.7500  1
  Ni  Ni8  6  0.0354  0.1012  0.2500  1
  Ni  Ni9  6  0.0430  0.8007  0.2500  1
  Ni  Ni10  6  0.0604  0.8858  0.7500  1
  Ni  Ni11  6  0.1357  0.3473  0.7500  1
  Ni  Ni12  6  0.1596  0.5195  0.7500  1
  Ni  Ni13  6  0.1855  0.6921  0.7500  1
  Ni  Ni14  2  0.3333  0.6667  0.7500  1
  P  P15  6  0.0067  0.1381  0.7500  1
  P  P16  6  0.0302  0.3085  0.7500  1
  P  P17  6  0.0534  0.4790  0.7500  1
  P  P18  6  0.0798  0.6525  0.7500  1
  P  P19  6  0.1061  0.8229  0.7500  1
  P  P20  6  0.2021  0.4547  0.7500  1
  P  P21  6  0.2257  0.6253  0.7500  1
]