data_[Ag4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.3299]
_cell_length_b [7.2230]
_cell_length_c [4.4059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ag2Se]
_chemical_formula_sum '[Ag4 Se2]'
_cell_volume [130.1280]
_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  0.1412  0.1631  0.8244  1.0
  Ag  Ag1  2  0.4869  0.4630  0.5539  1.0
  Se  Se2  2  0.2509  0.7490  0.7777  1.0
]