data_[Si1Ag2As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8060]
_cell_length_b [5.9055]
_cell_length_c [6.9359]
_cell_angle_alpha [89.9697]
_cell_angle_beta [84.6491]
_cell_angle_gamma [83.1528]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiAg2AsSe4]
_chemical_formula_sum '[Si1 Ag2 As1 Se4]'
_cell_volume [235.0754]
_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
[
  Si  Si0  1  0.7345  0.2894  0.5461  1.0
  Ag  Ag1  1  0.2140  0.2574  0.8322  1.0
  Ag  Ag2  1  0.2585  0.8363  0.5079  1.0
  As  As3  1  0.1965  0.1295  0.2038  1.0
  Se  Se4  1  0.4947  0.5478  0.7350  1.0
  Se  Se5  1  0.5985  0.0539  0.3118  1.0
  Se  Se6  1  0.8951  0.0185  0.7444  1.0
  Se  Se7  1  0.9953  0.4803  0.3446  1.0
]