data_[Nd10Er2Te16]
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 [I-4]
_cell_length_a [9.4694]
_cell_length_b [9.4694]
_cell_length_c [9.5712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd5ErTe8]
_chemical_formula_sum '[Nd10 Er2 Te16]'
_cell_volume [858.2508]
_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  8  0.1185  0.2508  0.8760  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Er  Er2  2  0.0000  0.5000  0.2500  1.0
  Te  Te3  8  0.0717  0.1828  0.2020  1.0
  Te  Te4  8  0.0759  0.3250  0.5490  1.0
]