data_[Nd6Ho16Er4]
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 [C2/m]
_cell_length_a [20.7358]
_cell_length_b [5.0287]
_cell_length_c [7.9598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Ho4Er)2]
_chemical_formula_sum '[Nd6 Ho16 Er4]'
_cell_volume [827.5562]
_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  0.0389  0.5000  0.3065  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Ho  Ho2  4  0.0788  0.0000  0.6142  1
  Ho  Ho3  4  0.1177  0.5000  0.9210  1
  Ho  Ho4  4  0.1562  0.0000  0.2303  1
  Ho  Ho5  4  0.1933  0.5000  0.5389  1
  Er  Er6  4  0.2312  0.0000  0.8461  1
]