data_[Hf12Sn6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1775]
_cell_length_b [7.8485]
_cell_length_c [11.0190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Sn3P]
_chemical_formula_sum '[Hf12 Sn6 P2]'
_cell_volume [446.8766]
_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  0.0285  0.0708  0.2326  1
  Hf  Hf1  4  0.1719  0.7016  0.0613  1
  Hf  Hf2  4  0.4121  0.1489  0.0480  1
  Sn  Sn3  4  0.3295  0.1250  0.7354  1
  Sn  Sn4  2  0.5000  0.0000  0.5000  1
  P  P5  2  0.0000  0.0000  0.0000  1
]