data_[Na4Ag4P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5976]
_cell_length_b [7.2729]
_cell_length_c [8.4651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAgPSe3]
_chemical_formula_sum '[Na4 Ag4 P4 Se12]'
_cell_volume [645.2044]
_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
[
  Na  Na0  4  0.1662  0.5000  0.2406  1.0
  Ag  Ag1  4  0.0000  0.2634  0.5000  1.0
  P  P2  4  0.0293  0.0000  0.1543  1.0
  Se  Se3  8  0.0688  0.2539  0.8411  1.0
  Se  Se4  4  0.2374  0.0000  0.3449  1.0
]