data_[Nd2Er10In12]
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 [Cmmm]
_cell_length_a [5.3140]
_cell_length_b [15.9479]
_cell_length_c [7.4985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NdEr5In6]
_chemical_formula_sum '[Nd2 Er10 In12]'
_cell_volume [635.4751]
_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
  Er  Er1  4  0.0000  0.3325  0.0000  1
  Er  Er2  4  0.0000  0.3364  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.5000  1
  In  In4  8  0.0000  0.1698  0.2554  1
  In  In5  4  0.0000  0.5000  0.2544  1
]