data_[Nd16Er4Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [18.2809]
_cell_length_b [5.1201]
_cell_length_c [8.0986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Er2Mg]
_chemical_formula_sum '[Nd16 Er4 Mg2]'
_cell_volume [730.8265]
_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  0.0455  0.0000  0.7230  1.0
  Nd  Nd1  4  0.0920  0.5000  0.4483  1.0
  Nd  Nd2  4  0.1370  0.0000  0.1847  1.0
  Nd  Nd3  4  0.1819  0.5000  0.9103  1.0
  Er  Er4  4  0.2258  0.0000  0.6339  1.0
  Mg  Mg5  2  0.0000  0.5000  0.0000  1.0
]