data_[Nd2Er12In4]
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 [12.5807]
_cell_length_b [3.7147]
_cell_length_c [11.9460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(Er3In)2]
_chemical_formula_sum '[Nd2 Er12 In4]'
_cell_volume [531.9360]
_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  0.0126  0.0000  0.3467  1.0
  Er  Er2  4  0.1864  0.5000  0.8741  1.0
  Er  Er3  4  0.1897  0.5000  0.5814  1.0
  In  In4  4  0.1451  0.5000  0.2176  1.0
]