data_[Ga1Ag1As1Au1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3208]
_cell_length_b [4.3208]
_cell_length_c [7.4194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [GaAgAsAuCl]
_chemical_formula_sum '[Ga1 Ag1 As1 Au1 Cl1]'
_cell_volume [119.9579]
_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
[
  Ga  Ga0  1  0.6667  0.3333  0.9423  1
  Ag  Ag1  1  0.0000  0.0000  0.4664  1
  As  As2  1  0.0000  0.0000  0.8310  1
  Au  Au3  1  0.3333  0.6667  0.6764  1
  Cl  Cl4  1  0.6667  0.3333  0.2845  1
]