data_[Nd4Er16In4]
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 [Cmc2_1]
_cell_length_a [5.3577]
_cell_length_b [12.2119]
_cell_length_c [10.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NdEr4In]
_chemical_formula_sum '[Nd4 Er16 In4]'
_cell_volume [719.6554]
_cell_formula_units_Z [4]
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  0.3189  0.2713  1.0
  Er  Er1  4  0.0000  0.0045  0.2979  1.0
  Er  Er2  4  0.0000  0.1777  0.5546  1.0
  Er  Er3  4  0.0000  0.3249  0.8391  1.0
  Er  Er4  4  0.0000  0.4782  0.5594  1.0
  In  In5  4  0.0000  0.1476  0.0444  1.0
]