data_[Y1Ag1As2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.4753]
_cell_length_b [6.4753]
_cell_length_c [18.5716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [YAg(AsS3)2]
_chemical_formula_sum '[Y1 Ag1 As2 S6]'
_cell_volume [674.3754]
_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
[
  Y  Y0  1  0.6667  0.3333  0.5000  1
  Ag  Ag1  1  0.3333  0.6667  0.5000  1
  As  As2  2  0.0000  0.0000  0.4336  1
  S  S3  6  0.3317  0.0122  0.5962  1
]