data_[Tb4Nb4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4117]
_cell_length_b [5.5482]
_cell_length_c [7.5721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TbNbP]
_chemical_formula_sum '[Tb4 Nb4 P4]'
_cell_volume [269.3630]
_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  4  0.3787  0.2114  0.8603  1
  Nb  Nb1  4  0.0654  0.7107  0.9119  1
  P  P2  4  0.2188  0.5297  0.6396  1
]