data_[Ag2Sb4Se2]
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 [C2/m]
_cell_length_a [8.2844]
_cell_length_b [4.0497]
_cell_length_c [7.5946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgSb2Se]
_chemical_formula_sum '[Ag2 Sb4 Se2]'
_cell_volume [218.6609]
_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  0.0000  0.5000  0.0000  1
  Sb  Sb1  4  0.2088  0.5000  0.8036  1
  Se  Se2  2  0.0000  0.0000  0.5000  1
]