data_[La2Ag2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [6.1284]
_cell_length_b [19.1067]
_cell_length_c [8.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [LaAgTe3]
_chemical_formula_sum '[La2 Ag2 Te6]'
_cell_volume [1024.1391]
_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
[
  La  La0  2  0.2396  0.4611  0.8267  1
  Ag  Ag1  2  0.2691  0.5370  0.2330  1
  Te  Te2  2  0.2526  0.3907  0.1551  1
  Te  Te3  1  0.0000  0.5266  0.5000  1
  Te  Te4  1  0.0000  0.6011  0.0000  1
  Te  Te5  1  0.5000  0.4889  0.5000  1
  Te  Te6  1  0.5000  0.6056  0.0000  1
]