data_[Hf3Mo3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9314]
_cell_length_b [6.9314]
_cell_length_c [3.4144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HfMoP]
_chemical_formula_sum '[Hf3 Mo3 P3]'
_cell_volume [142.0663]
_cell_formula_units_Z [3]
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  3  0.0000  0.4033  0.5000  1.0
  Mo  Mo1  3  0.0000  0.7470  0.0000  1.0
  P  P2  2  0.3333  0.6667  0.0000  1.0
  P  P3  1  0.0000  0.0000  0.5000  1.0
]