data_[Nd8Sm6Er16]
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 [C2/m]
_cell_length_a [13.4295]
_cell_length_b [12.8593]
_cell_length_c [6.7592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Sm3Er8]
_chemical_formula_sum '[Nd8 Sm6 Er16]'
_cell_volume [1009.4637]
_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  0.2500  0.2500  0.5000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Sm  Sm3  4  0.2500  0.2500  0.0000  1
  Sm  Sm4  2  0.0000  0.5000  0.5000  1
  Er  Er5  4  0.0000  0.2561  0.5000  1
  Er  Er6  4  0.0000  0.3616  0.0000  1
  Er  Er7  4  0.2314  0.5000  0.4700  1
  Er  Er8  4  0.2317  0.5000  0.9919  1
]