data_[Hf12Sn2P4]
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 [C2/m]
_cell_length_a [10.1278]
_cell_length_b [5.1857]
_cell_length_c [8.4279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6SnP2]
_chemical_formula_sum '[Hf12 Sn2 P4]'
_cell_volume [359.7299]
_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  0.0765  0.5000  0.9024  1
  Hf  Hf1  4  0.1603  0.0000  0.1758  1
  Hf  Hf2  4  0.1821  0.0000  0.5550  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  P  P4  4  0.1024  0.0000  0.8176  1
]