data_[Tb6Ni14P8]
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 [C2/m]
_cell_length_a [14.6074]
_cell_length_b [3.8121]
_cell_length_c [8.9097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ni7P4]
_chemical_formula_sum '[Tb6 Ni14 P8]'
_cell_volume [399.0209]
_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  4  0.1798  0.5000  0.1759  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  4  0.0070  0.5000  0.7815  1
  Ni  Ni3  4  0.1619  0.0000  0.9177  1
  Ni  Ni4  4  0.1915  0.5000  0.5241  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  P  P6  4  0.1092  0.0000  0.3244  1
  P  P7  4  0.1615  0.5000  0.7745  1
]