data_[Ce2Ag2P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [Pc]
_cell_length_a [6.7634]
_cell_length_b [7.5010]
_cell_length_c [11.8562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CeAg(PSe3)2]
_chemical_formula_sum '[Ce2 Ag2 P4 Se12]'
_cell_volume [505.5225]
_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
[
  Ce  Ce0  2  0.7159  0.1382  0.2553  1.0
  Ag  Ag1  2  0.2889  0.3221  0.7391  1.0
  P  P2  2  0.3718  0.1439  0.4383  1.0
  P  P3  2  0.6297  0.3590  0.5649  1.0
  Se  Se4  2  0.1251  0.2684  0.2412  1.0
  Se  Se5  2  0.2044  0.0410  0.5427  1.0
  Se  Se6  2  0.3994  0.4526  0.0850  1.0
  Se  Se7  2  0.5984  0.0718  0.9383  1.0
  Se  Se8  2  0.7572  0.4618  0.4422  1.0
  Se  Se9  2  0.9044  0.2347  0.7595  1.0
]