data_[Ag2Sb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0389]
_cell_length_b [3.9974]
_cell_length_c [4.0809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgSbSe2]
_chemical_formula_sum '[Ag2 Sb2 Se4]'
_cell_volume [212.6541]
_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  0.4892  0.0000  0.4167  1.0
  Sb  Sb1  2  0.2833  0.5000  0.8665  1.0
  Se  Se2  2  0.2464  0.0000  0.3136  1.0
  Se  Se3  2  0.4812  0.5000  0.9032  1.0
]