data_[Nd12Y4Er6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2249]
_cell_length_b [10.7945]
_cell_length_c [11.7711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Y2Er3Mg]
_chemical_formula_sum '[Nd12 Y4 Er6 Mg2]'
_cell_volume [778.4833]
_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  8  0.2491  0.1663  0.2503  1.0
  Nd  Nd1  4  0.2497  0.0000  0.7486  1.0
  Y  Y2  4  0.0000  0.3334  0.0000  1.0
  Er  Er3  4  0.0000  0.1665  0.5000  1.0
  Er  Er4  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg5  2  0.0000  0.0000  0.0000  1.0
]