data_[Nd8Er12In4]
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 [Imma]
_cell_length_a [5.1160]
_cell_length_b [9.2465]
_cell_length_c [15.5072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Nd2Er3In]
_chemical_formula_sum '[Nd8 Er12 In4]'
_cell_volume [733.5619]
_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  0.2500  0.0252  1.0
  Nd  Nd1  4  0.0000  0.2500  0.3253  1.0
  Er  Er2  8  0.0000  0.0440  0.8288  1.0
  Er  Er3  4  0.0000  0.0000  0.5000  1.0
  In  In4  4  0.0000  0.2500  0.6451  1.0
]