data_[Hf12P2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3680]
_cell_length_b [9.3212]
_cell_length_c [6.1596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6POs]
_chemical_formula_sum '[Hf12 P2 Os2]'
_cell_volume [355.9810]
_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  8  0.1568  0.3243  0.7968  1
  Hf  Hf1  4  0.2070  0.0000  0.7039  1
  P  P2  2  0.0000  0.5000  0.5000  1
  Os  Os3  2  0.0000  0.0000  0.0000  1
]