data_[Hf3Ag4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.6866]
_cell_length_b [3.8555]
_cell_length_c [8.4100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hf3(AgAs)4]
_chemical_formula_sum '[Hf3 Ag4 As4]'
_cell_volume [215.6483]
_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  0.4641  0.0000  0.3176  1
  Hf  Hf1  1  0.5941  0.5000  0.6618  1
  Hf  Hf2  1  0.9311  0.0000  0.1831  1
  Ag  Ag3  1  0.1608  0.5000  0.4519  1
  Ag  Ag4  1  0.2732  0.0000  0.9314  1
  Ag  Ag5  1  0.5924  0.5000  0.0373  1
  Ag  Ag6  1  0.9144  0.0000  0.5934  1
  As  As7  1  0.2176  0.5000  0.1477  1
  As  As8  1  0.3205  0.0000  0.6320  1
  As  As9  1  0.7566  0.5000  0.3619  1
  As  As10  1  0.7731  0.0000  0.8791  1
]