data_[Ag2Sn1As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1369]
_cell_length_b [6.9587]
_cell_length_c [6.9998]
_cell_angle_alpha [81.0668]
_cell_angle_beta [89.1209]
_cell_angle_gamma [72.8385]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2SnAsSe4]
_chemical_formula_sum '[Ag2 Sn1 As1 Se4]'
_cell_volume [190.1012]
_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  0.6780  0.4484  0.7802  1.0
  Ag  Ag1  1  0.9047  0.9812  0.5207  1.0
  Sn  Sn2  1  0.3929  0.9545  0.0113  1.0
  As  As3  1  0.1916  0.4675  0.2835  1.0
  Se  Se4  1  0.3008  0.2533  0.6163  1.0
  Se  Se5  1  0.4585  0.7197  0.3769  1.0
  Se  Se6  1  0.7122  0.2259  0.1591  1.0
  Se  Se7  1  0.9742  0.7236  0.8650  1.0
]