data_[Nd2Er6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4522]
_cell_length_b [4.3694]
_cell_length_c [12.7914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(ErTe2)3]
_chemical_formula_sum '[Nd2 Er6 Te12]'
_cell_volume [656.6749]
_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  0.0473  0.7500  0.6977  1.0
  Er  Er1  2  0.1557  0.7500  0.0827  1.0
  Er  Er2  2  0.3175  0.2500  0.4986  1.0
  Er  Er3  2  0.4358  0.7500  0.8349  1.0
  Te  Te4  2  0.0848  0.2500  0.9041  1.0
  Te  Te5  2  0.1160  0.7500  0.4681  1.0
  Te  Te6  2  0.1960  0.2500  0.2503  1.0
  Te  Te7  2  0.2588  0.2500  0.7229  1.0
  Te  Te8  2  0.3914  0.7500  0.0596  1.0
  Te  Te9  2  0.4825  0.7500  0.6168  1.0
]