data_[Nb12Ge6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0744]
_cell_length_b [6.7597]
_cell_length_c [10.5366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb6Ge3P]
_chemical_formula_sum '[Nb12 Ge6 P2]'
_cell_volume [356.5679]
_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
[
  Nb  Nb0  4  0.0564  0.0276  0.2444  1
  Nb  Nb1  4  0.1969  0.6683  0.0659  1
  Nb  Nb2  4  0.4178  0.1582  0.0654  1
  Ge  Ge3  4  0.3203  0.1476  0.7522  1
  Ge  Ge4  2  0.5000  0.0000  0.5000  1
  P  P5  2  0.0000  0.0000  0.0000  1
]