data_[Ag6Se1S1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6928]
_cell_length_b [6.6955]
_cell_length_c [6.7765]
_cell_angle_alpha [63.5434]
_cell_angle_beta [61.5621]
_cell_angle_gamma [60.6116]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag6SeSCl2]
_chemical_formula_sum '[Ag6 Se1 S1 Cl2]'
_cell_volume [223.5899]
_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
[
  Ag  Ag0  1  0.3697  0.1502  0.9963  1.0
  Ag  Ag1  1  0.4799  0.3114  0.4800  1.0
  Ag  Ag2  1  0.4930  0.5668  0.8340  1.0
  Ag  Ag3  1  0.8498  0.8941  0.2876  1.0
  Ag  Ag4  1  0.9647  0.6550  0.9394  1.0
  Ag  Ag5  1  0.9648  0.1151  0.5109  1.0
  Se  Se6  1  0.1709  0.4395  0.2568  1.0
  S  S7  1  0.6696  0.8932  0.7231  1.0
  Cl  Cl8  1  0.4429  0.7400  0.4071  1.0
  Cl  Cl9  1  0.9330  0.2194  0.9032  1.0
]