data_[Nd2Tm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [12.4283]
_cell_length_b [4.3597]
_cell_length_c [12.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(TmTe2)3]
_chemical_formula_sum '[Nd2 Tm6 Te12]'
_cell_volume [651.9916]
_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
[
  Nd  Nd0  2  0.0476  0.7500  0.6982  1.0
  Tm  Tm1  2  0.1560  0.7500  0.0831  1.0
  Tm  Tm2  2  0.3173  0.2500  0.4988  1.0
  Tm  Tm3  2  0.4363  0.7500  0.8351  1.0
  Te  Te4  2  0.0844  0.2500  0.9048  1.0
  Te  Te5  2  0.1164  0.7500  0.4681  1.0
  Te  Te6  2  0.1965  0.2500  0.2502  1.0
  Te  Te7  2  0.2597  0.2500  0.7234  1.0
  Te  Te8  2  0.3912  0.7500  0.0594  1.0
  Te  Te9  2  0.4819  0.7500  0.6165  1.0
]