data_[Cs4Ag4P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [6.9652]
_cell_length_b [12.7433]
_cell_length_c [10.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsAgPSe3]
_chemical_formula_sum '[Cs4 Ag4 P4 Se12]'
_cell_volume [777.6688]
_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
[
  Cs  Cs0  4  0.2635  0.6688  0.0153  1
  Ag  Ag1  4  0.3178  0.0590  0.8615  1
  P  P2  4  0.1499  0.0399  0.1123  1
  Se  Se3  4  0.0073  0.0888  0.2435  1
  Se  Se4  4  0.2589  0.1778  0.0410  1
  Se  Se5  4  0.4271  0.5796  0.7450  1
]