data_[Nd8Er6In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5937]
_cell_length_b [9.4866]
_cell_length_c [19.4916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd4Er3In4]
_chemical_formula_sum '[Nd8 Er6 In8]'
_cell_volume [664.5145]
_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  0.0000  0.1748  0.3387  1.0
  Er  Er1  4  0.0000  0.0000  0.0929  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  In  In3  4  0.0000  0.2817  0.5000  1.0
  In  In4  4  0.0000  0.5000  0.2766  1.0
]