data_[Nd16Y24Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7920]
_cell_length_b [9.7457]
_cell_length_c [26.0105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd4Y6Er]
_chemical_formula_sum '[Nd16 Y24 Er4]'
_cell_volume [1468.2091]
_cell_formula_units_Z [4]
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  0.0000  0.1561  0.0451  1
  Nd  Nd1  8  0.0000  0.4694  0.1223  1
  Y  Y2  8  0.0000  0.1441  0.1832  1
  Y  Y3  8  0.0000  0.1903  0.6069  1
  Y  Y4  4  0.0000  0.4811  0.2500  1
  Y  Y5  4  0.0000  0.5000  0.0000  1
  Er  Er6  4  0.0000  0.1848  0.7500  1
]