data_[Ce4In4Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.0018]
_cell_length_b [4.2799]
_cell_length_c [12.0799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeInAgTe3]
_chemical_formula_sum '[Ce4 In4 Ag4 Te12]'
_cell_volume [775.6114]
_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
[
  Ce  Ce0  4  0.0092  0.2500  0.6785  1
  In  In1  4  0.2217  0.2500  0.9487  1
  Ag  Ag2  4  0.0080  0.7500  0.9108  1
  Te  Te3  4  0.1170  0.2500  0.4473  1
  Te  Te4  4  0.1207  0.7500  0.1091  1
  Te  Te5  4  0.1534  0.7500  0.7595  1
]