data_[Tb4Ni6P4]
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 [10.0273]
_cell_length_b [3.6880]
_cell_length_c [6.6685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ni3P2]
_chemical_formula_sum '[Tb4 Ni6 P4]'
_cell_volume [218.8190]
_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  0.1317  0.0000  0.7674  1
  Ni  Ni1  4  0.1417  0.5000  0.4266  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  P  P3  4  0.1508  0.0000  0.2205  1
]