data_[La2Y6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.5562]
_cell_length_b [4.4292]
_cell_length_c [12.8907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(YTe2)3]
_chemical_formula_sum '[La2 Y6 Te12]'
_cell_volume [676.4487]
_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  0.0479  0.7500  0.6976  1.0
  Y  Y1  2  0.1553  0.7500  0.0835  1.0
  Y  Y2  2  0.3184  0.2500  0.4992  1.0
  Y  Y3  2  0.4383  0.7500  0.8348  1.0
  Te  Te4  2  0.0850  0.2500  0.9046  1.0
  Te  Te5  2  0.1181  0.7500  0.4670  1.0
  Te  Te6  2  0.1965  0.2500  0.2502  1.0
  Te  Te7  2  0.2610  0.2500  0.7247  1.0
  Te  Te8  2  0.3908  0.7500  0.0585  1.0
  Te  Te9  2  0.4832  0.7500  0.6163  1.0
]