data_[Nd6Er4In2]
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_1/m]
_cell_length_a [8.6656]
_cell_length_b [3.7273]
_cell_length_c [11.7790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Er2In]
_chemical_formula_sum '[Nd6 Er4 In2]'
_cell_volume [380.3942]
_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  0.0931  0.2500  0.6032  1
  Nd  Nd1  2  0.3447  0.7500  0.0691  1
  Nd  Nd2  2  0.3899  0.7500  0.7511  1
  Er  Er3  2  0.0803  0.2500  0.8925  1
  Er  Er4  2  0.3548  0.7500  0.4297  1
  In  In5  2  0.1644  0.2500  0.2563  1
]