data_[Nd4Er16In2]
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 [C2/m]
_cell_length_a [17.9468]
_cell_length_b [4.9157]
_cell_length_c [7.8185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Er8In]
_chemical_formula_sum '[Nd4 Er16 In2]'
_cell_volume [665.6412]
_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  0.2215  0.0000  0.6345  1.0
  Er  Er1  4  0.0439  0.0000  0.7243  1.0
  Er  Er2  4  0.0885  0.5000  0.4434  1.0
  Er  Er3  4  0.1331  0.0000  0.1730  1.0
  Er  Er4  4  0.1802  0.5000  0.9092  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]