data_[Nd5Er2In4]
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 [P2/m]
_cell_length_a [8.8073]
_cell_length_b [3.4377]
_cell_length_c [10.7508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd5(ErIn2)2]
_chemical_formula_sum '[Nd5 Er2 In4]'
_cell_volume [324.0440]
_cell_formula_units_Z [1]
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  0.1575  0.0000  0.1406  1
  Nd  Nd1  2  0.4617  0.0000  0.6647  1
  Nd  Nd2  1  0.5000  0.0000  0.0000  1
  Er  Er3  2  0.0815  0.0000  0.6378  1
  In  In4  2  0.2006  0.5000  0.8737  1
  In  In5  2  0.2401  0.5000  0.4245  1
]