data_[Ag8As4Se8]
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 [P2_1/c]
_cell_length_a [9.5329]
_cell_length_b [6.4799]
_cell_length_c [7.8332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag2AsSe2]
_chemical_formula_sum '[Ag8 As4 Se8]'
_cell_volume [476.9176]
_cell_formula_units_Z [4]
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  0.0326  0.7120  0.9245  1.0
  Ag  Ag1  4  0.4041  0.2143  0.5221  1.0
  As  As2  4  0.2554  0.5643  0.5711  1.0
  Se  Se3  4  0.1622  0.1120  0.3111  1.0
  Se  Se4  4  0.4004  0.6601  0.2148  1.0
]