data_[Nd8Sm2Er12]
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 [I-42m]
_cell_length_a [6.6691]
_cell_length_b [6.6691]
_cell_length_c [16.9323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd4SmEr6]
_chemical_formula_sum '[Nd8 Sm2 Er12]'
_cell_volume [753.0875]
_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  8  0.1901  0.1901  0.8244  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Er  Er2  8  0.1778  0.1778  0.6240  1
  Er  Er3  4  0.0000  0.5000  0.0000  1
]