data_[Nd24Y4Er12]
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 [Cmc2_1]
_cell_length_a [9.8245]
_cell_length_b [21.4416]
_cell_length_c [6.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd6YEr3]
_chemical_formula_sum '[Nd24 Y4 Er12]'
_cell_volume [1357.5765]
_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  0.1743  0.2804  0.8222  1
  Nd  Nd1  8  0.1800  0.4401  0.0713  1
  Nd  Nd2  4  0.0000  0.0155  0.3091  1
  Nd  Nd3  4  0.0000  0.3013  0.2991  1
  Y  Y4  4  0.0000  0.1573  0.5144  1
  Er  Er5  8  0.1679  0.1250  0.9921  1
  Er  Er6  4  0.0000  0.4201  0.5915  1
]