data_[Nd6Er2Sc4Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1884]
_cell_length_b [4.3120]
_cell_length_c [8.8351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Er(ScTe3)2]
_chemical_formula_sum '[Nd6 Er2 Sc4 Te12]'
_cell_volume [706.2050]
_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  0.1634  0.0000  0.8285  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc3  4  0.1675  0.0000  0.3340  1.0
  Te  Te4  4  0.0081  0.0000  0.2441  1.0
  Te  Te5  4  0.1651  0.5000  0.0989  1.0
  Te  Te6  4  0.1725  0.5000  0.5672  1.0
]