data_[Hf3Mo3As1P2]
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
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9770]
_cell_length_b [6.9770]
_cell_length_c [3.4674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Hf3Mo3AsP2]
_chemical_formula_sum '[Hf3 Mo3 As1 P2]'
_cell_volume [146.1757]
_cell_formula_units_Z [1]
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  0.5923  0.0000  1
  Mo  Mo1  3  0.0000  0.2608  0.5000  1
  As  As2  1  0.0000  0.0000  0.0000  1
  P  P3  2  0.3333  0.6667  0.5000  1
]