data_[Ag2As2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [12.7878]
_cell_length_b [3.8091]
_cell_length_c [4.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgAsSe2]
_chemical_formula_sum '[Ag2 As2 Se4]'
_cell_volume [198.1372]
_cell_formula_units_Z [2]
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  2  0.4959  0.0000  0.3424  1.0
  As  As1  2  0.2868  0.5000  0.8522  1.0
  Se  Se2  2  0.2415  0.0000  0.4570  1.0
  Se  Se3  2  0.4758  0.5000  0.8484  1.0
]