data_[Hf1Ag3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5575]
_cell_length_b [17.9164]
_cell_length_c [7.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf(AgP)3]
_chemical_formula_sum '[Hf1 Ag3 P3]'
_cell_volume [578.2110]
_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  1  0.6108  0.0000  0.6226  1
  Ag  Ag1  2  0.3876  0.0814  0.0162  1
  Ag  Ag2  1  0.1029  0.0000  0.3438  1
  P  P3  2  0.1223  0.0654  0.7125  1
  P  P4  1  0.6041  0.0000  0.2627  1
]