data_[Nd6Er4Te16]
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 [C2/m]
_cell_length_a [15.5022]
_cell_length_b [8.8385]
_cell_length_c [7.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(ErTe4)2]
_chemical_formula_sum '[Nd6 Er4 Te16]'
_cell_volume [988.7964]
_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  4  0.0000  0.2590  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Er  Er2  4  0.2498  0.0000  0.3333  1
  Te  Te3  8  0.1268  0.2484  0.4166  1
  Te  Te4  4  0.1180  0.5000  0.8828  1
  Te  Te5  4  0.1260  0.0000  0.9230  1
]