data_[Nd28Y4Er12]
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 [C2/c]
_cell_length_a [7.1109]
_cell_length_b [19.1714]
_cell_length_c [11.1923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd7YEr3]
_chemical_formula_sum '[Nd28 Y4 Er12]'
_cell_volume [1525.7977]
_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  0.0003  0.0900  0.0448  1
  Nd  Nd1  8  0.0005  0.4150  0.0167  1
  Nd  Nd2  4  0.0000  0.1602  0.7500  1
  Nd  Nd3  4  0.0000  0.3008  0.2500  1
  Nd  Nd4  4  0.0000  0.3385  0.7500  1
  Y  Y5  4  0.2500  0.2500  0.5000  1
  Er  Er6  8  0.2421  0.4902  0.2500  1
  Er  Er7  4  0.2500  0.2500  0.0000  1
]