data_[K4Ag4P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [12.2991]
_cell_length_b [7.4173]
_cell_length_c [8.3062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAgPSe3]
_chemical_formula_sum '[K4 Ag4 P4 Se12]'
_cell_volume [691.6283]
_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
[
  K  K0  4  0.1918  0.5000  0.2298  1.0
  Ag  Ag1  4  0.0000  0.2599  0.5000  1.0
  P  P2  4  0.0197  0.0000  0.1479  1.0
  Se  Se3  8  0.0777  0.2484  0.8290  1.0
  Se  Se4  4  0.2107  0.0000  0.3046  1.0
]