data_[Nd2Mg18Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7035]
_cell_length_b [13.9324]
_cell_length_c [7.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(Mg3Zn)3]
_chemical_formula_sum '[Nd2 Mg18 Zn6]'
_cell_volume [554.4072]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0992  0.3906  0.2106  1
  Mg  Mg2  8  0.1727  0.8227  0.3409  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.5000  0.5000  1
]