data_[Nd4Sm16Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6887]
_cell_length_b [20.7030]
_cell_length_c [5.6431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd2Sm8Er3]
_chemical_formula_sum '[Nd4 Sm16 Er6]'
_cell_volume [898.2625]
_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  0.0000  0.2400  0.5000  1
  Sm  Sm1  8  0.2067  0.3958  0.5000  1
  Sm  Sm2  4  0.0000  0.1288  0.0000  1
  Sm  Sm3  4  0.0000  0.3334  0.0000  1
  Er  Er4  4  0.2144  0.5000  0.0000  1
  Er  Er5  2  0.0000  0.0000  0.5000  1
]