data_[Nd12Er8Mg4]
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 [20.8646]
_cell_length_b [3.6875]
_cell_length_c [11.5519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Er2Mg]
_chemical_formula_sum '[Nd12 Er8 Mg4]'
_cell_volume [763.5567]
_cell_formula_units_Z [4]
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  0.0722  0.0000  0.4222  1.0
  Nd  Nd1  4  0.1068  0.5000  0.7265  1.0
  Nd  Nd2  4  0.2467  0.5000  0.6289  1.0
  Er  Er3  4  0.0577  0.0000  0.9317  1.0
  Er  Er4  4  0.2204  0.5000  0.0870  1.0
  Mg  Mg5  4  0.0958  0.5000  0.1975  1.0
]