data_[Hf14As4P4]
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 [Imm2]
_cell_length_a [3.5644]
_cell_length_b [14.0895]
_cell_length_c [8.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Hf7(AsP)2]
_chemical_formula_sum '[Hf14 As4 P4]'
_cell_volume [415.3654]
_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  0.0000  0.1494  0.7243  1.0
  Hf  Hf1  4  0.0000  0.1770  0.1040  1.0
  Hf  Hf2  4  0.0000  0.3826  0.8960  1.0
  Hf  Hf3  2  0.0000  0.5000  0.4845  1.0
  As  As4  2  0.0000  0.0000  0.2441  1.0
  As  As5  2  0.0000  0.5000  0.1564  1.0
  P  P6  4  0.0000  0.2530  0.4063  1.0
]