data_[La2Tm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4646]
_cell_length_b [4.3924]
_cell_length_c [12.7802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(TmTe2)3]
_chemical_formula_sum '[La2 Tm6 Te12]'
_cell_volume [660.0712]
_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  0.0487  0.7500  0.6983  1.0
  Tm  Tm1  2  0.1561  0.7500  0.0843  1.0
  Tm  Tm2  2  0.3186  0.2500  0.4995  1.0
  Tm  Tm3  2  0.4393  0.7500  0.8357  1.0
  Te  Te4  2  0.0847  0.2500  0.9069  1.0
  Te  Te5  2  0.1198  0.7500  0.4673  1.0
  Te  Te6  2  0.1985  0.2500  0.2499  1.0
  Te  Te7  2  0.2638  0.2500  0.7257  1.0
  Te  Te8  2  0.3903  0.7500  0.0580  1.0
  Te  Te9  2  0.4820  0.7500  0.6158  1.0
]