data_[Ag6Se6Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [18.5572]
_cell_length_b [7.6533]
_cell_length_c [12.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [AgSeCl]
_chemical_formula_sum '[Ag6 Se6 Cl6]'
_cell_volume [1755.1887]
_cell_formula_units_Z [6]
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  4  0.0755  0.0707  0.2971  1
  Ag  Ag1  2  0.0000  0.0000  0.5591  1
  Se  Se2  4  0.0836  0.1112  0.7357  1
  Se  Se3  2  0.0000  0.0000  0.8524  1
  Cl  Cl4  4  0.0958  0.6450  0.9385  1
  Cl  Cl5  2  0.0000  0.0000  0.1285  1
]