data_[Ag2Te1As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7667]
_cell_length_b [5.7701]
_cell_length_c [6.9913]
_cell_angle_alpha [112.9983]
_cell_angle_beta [113.9496]
_cell_angle_gamma [90.9178]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2TeAsSe4]
_chemical_formula_sum '[Ag2 Te1 As1 Se4]'
_cell_volume [191.4412]
_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
[
  Ag  Ag0  1  0.5665  0.4350  0.5003  1.0
  Ag  Ag1  1  0.8074  0.1979  0.0114  1.0
  Te  Te2  1  0.0770  0.9177  0.4966  1.0
  As  As3  1  0.3120  0.7012  0.0107  1.0
  Se  Se4  1  0.0832  0.4292  0.5123  1.0
  Se  Se5  1  0.3273  0.1217  0.9936  1.0
  Se  Se6  1  0.5626  0.9161  0.4789  1.0
  Se  Se7  1  0.8770  0.6682  0.9962  1.0
]