data_[Nd2Er10Te12]
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 [7.5654]
_cell_length_b [13.0003]
_cell_length_c [7.5008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdEr5Te6]
_chemical_formula_sum '[Nd2 Er10 Te12]'
_cell_volume [696.3795]
_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  0.0000  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.1537  0.5000  1.0
  Er  Er2  4  0.0000  0.3325  0.0000  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2405  0.3269  0.7403  1.0
  Te  Te5  4  0.2360  0.5000  0.2463  1.0
]