data_[Hf12As2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9429]
_cell_length_b [6.6507]
_cell_length_c [10.4031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6AsP2]
_chemical_formula_sum '[Hf12 As2 P4]'
_cell_volume [354.3246]
_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  0.0753  0.6987  0.9393  1
  Hf  Hf1  4  0.2689  0.1518  0.9304  1
  Hf  Hf2  4  0.4160  0.5413  0.7339  1
  As  As3  2  0.5000  0.0000  0.5000  1
  P  P4  4  0.1550  0.6304  0.2210  1
]