data_[Nd6Er8In2]
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 [Pmn2_1]
_cell_length_a [11.2830]
_cell_length_b [7.1030]
_cell_length_c [6.2152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Er4In]
_chemical_formula_sum '[Nd6 Er8 In2]'
_cell_volume [498.1062]
_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  4  0.2378  0.6163  0.9732  1.0
  Nd  Nd1  2  0.0000  0.6278  0.6256  1.0
  Er  Er2  4  0.2400  0.1224  0.9884  1.0
  Er  Er3  2  0.0000  0.1277  0.6477  1.0
  Er  Er4  2  0.0000  0.8812  0.1658  1.0
  In  In5  2  0.0000  0.3589  0.1531  1.0
]