data_[Nd12Er2In4]
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 [13.1174]
_cell_length_b [3.8399]
_cell_length_c [12.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6ErIn2]
_chemical_formula_sum '[Nd12 Er2 In4]'
_cell_volume [580.9986]
_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  0.0197  0.0000  0.3393  1
  Nd  Nd1  4  0.1797  0.5000  0.8775  1
  Nd  Nd2  4  0.1931  0.5000  0.5925  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  In  In4  4  0.1404  0.5000  0.1931  1
]