data_[Ag4Sb4Se12]
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 [15.0630]
_cell_length_b [3.9402]
_cell_length_c [10.2014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgSbSe3]
_chemical_formula_sum '[Ag4 Sb4 Se12]'
_cell_volume [565.9861]
_cell_formula_units_Z [4]
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  4  0.1327  0.0000  0.4013  1.0
  Sb  Sb1  4  0.2012  0.5000  0.8210  1.0
  Se  Se2  4  0.0100  0.5000  0.3911  1.0
  Se  Se3  4  0.1305  0.0000  0.9559  1.0
  Se  Se4  4  0.2319  0.5000  0.3255  1.0
]