data_[Dy2Er6Mg12]
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 [P2_1/m]
_cell_length_a [9.2154]
_cell_length_b [5.2476]
_cell_length_c [11.1908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy(ErMg2)3]
_chemical_formula_sum '[Dy2 Er6 Mg12]'
_cell_volume [521.2252]
_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
[
  Dy  Dy0  2  0.0509  0.2500  0.3993  1
  Er  Er1  2  0.2518  0.2500  0.9963  1
  Er  Er2  2  0.3514  0.7500  0.7969  1
  Er  Er3  2  0.4546  0.2500  0.6024  1
  Mg  Mg4  2  0.0470  0.7500  0.9004  1
  Mg  Mg5  2  0.1447  0.2500  0.7005  1
  Mg  Mg6  2  0.1462  0.7500  0.1949  1
  Mg  Mg7  2  0.2453  0.7500  0.4917  1
  Mg  Mg8  2  0.3418  0.2500  0.2944  1
  Mg  Mg9  2  0.4433  0.7500  0.1010  1
]