data_[Ag1Sn1Os2Se1]
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
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5491]
_cell_length_b [4.5491]
_cell_length_c [5.4444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AgSnOs2Se]
_chemical_formula_sum '[Ag1 Sn1 Os2 Se1]'
_cell_volume [112.6681]
_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  0.5000  0.5000  0.5000  1
  Sn  Sn1  1  0.0000  0.0000  0.5000  1
  Os  Os2  2  0.0000  0.5000  0.0000  1
  Se  Se3  1  0.0000  0.0000  0.0000  1
]