data_[Dy3Er3Mg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1990]
_cell_length_b [10.1990]
_cell_length_c [15.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyErMg17]
_chemical_formula_sum '[Dy3 Er3 Mg51]'
_cell_volume [1371.7933]
_cell_formula_units_Z [3]
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
[
  Dy  Dy0  3  0.0000  0.0000  0.3282  1
  Er  Er1  3  0.0000  0.0000  0.6720  1
  Mg  Mg2  18  0.0283  0.3611  0.6667  1
  Mg  Mg3  9  0.0076  0.5038  0.1510  1
  Mg  Mg4  9  0.1677  0.3354  0.8339  1
  Mg  Mg5  9  0.1720  0.8280  0.1820  1
  Mg  Mg6  3  0.0000  0.0000  0.0988  1
  Mg  Mg7  3  0.0000  0.0000  0.9000  1
]