data_[Nd3Ho4Er5]
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 [P-1]
_cell_length_a [6.1530]
_cell_length_b [7.1080]
_cell_length_c [8.7058]
_cell_angle_alpha [89.9471]
_cell_angle_beta [89.8287]
_cell_angle_gamma [89.8451]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3Ho4Er5]
_chemical_formula_sum '[Nd3 Ho4 Er5]'
_cell_volume [380.7481]
_cell_formula_units_Z [1]
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  2  0.3336  0.2495  0.1661  1
  Nd  Nd1  1  0.5000  0.5000  0.5000  1
  Ho  Ho2  2  0.1667  0.0002  0.8322  1
  Ho  Ho3  2  0.3311  0.7513  0.1669  1
  Er  Er4  2  0.0012  0.7511  0.4999  1
  Er  Er5  2  0.1646  0.4999  0.8324  1
  Er  Er6  1  0.5000  0.0000  0.5000  1
]