data_[Hf12Ge4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [5.6173]
_cell_length_b [7.2066]
_cell_length_c [10.3962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Ge2P]
_chemical_formula_sum '[Hf12 Ge4 P2]'
_cell_volume [357.0570]
_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
[
  Hf  Hf0  4  0.0745  0.6855  0.9465  1
  Hf  Hf1  4  0.3093  0.1722  0.9468  1
  Hf  Hf2  4  0.3484  0.5285  0.7235  1
  Ge  Ge3  4  0.1625  0.6164  0.2484  1
  P  P4  2  0.5000  0.0000  0.5000  1
]