data_[La4Y6Te16]
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 [C2/m]
_cell_length_a [15.7200]
_cell_length_b [8.8381]
_cell_length_c [7.6114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y3Te8]
_chemical_formula_sum '[La4 Y6 Te16]'
_cell_volume [1002.6516]
_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  4  0.2471  0.5000  0.6680  1
  Y  Y1  4  0.0000  0.2571  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.1165  0.2459  0.4098  1
  Te  Te4  4  0.1166  0.0000  0.9122  1
  Te  Te5  4  0.1186  0.5000  0.9177  1
]