data_[Nd4Ho2Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.6031]
_cell_length_b [10.6031]
_cell_length_c [4.9660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Nd2HoEr6]
_chemical_formula_sum '[Nd4 Ho2 Er12]'
_cell_volume [558.2994]
_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  0.1661  0.1661  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Er  Er2  8  0.0009  0.3346  0.5000  1.0
  Er  Er3  4  0.1666  0.8334  0.0000  1.0
]