data_[Nb4P8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5221]
_cell_length_b [3.4117]
_cell_length_c [12.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NbP2Rh]
_chemical_formula_sum '[Nb4 P8 Rh4]'
_cell_volume [237.5751]
_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
[
  Nb  Nb0  4  0.0042  0.2500  0.1704  1.0
  P  P1  4  0.1546  0.2500  0.6966  1.0
  P  P2  4  0.1789  0.2500  0.9655  1.0
  Rh  Rh3  4  0.0038  0.2500  0.4087  1.0
]