data_[Nd6Mn6Zn45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0353]
_cell_length_b [9.0353]
_cell_length_c [13.3119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Mn2Zn15]
_chemical_formula_sum '[Nd6 Mn6 Zn45]'
_cell_volume [941.1477]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3376  1
  Mn  Mn1  6  0.0000  0.0000  0.0992  1
  Zn  Zn2  18  0.0000  0.2840  0.0000  1
  Zn  Zn3  18  0.0029  0.5014  0.1501  1
  Zn  Zn4  9  0.0000  0.5000  0.5000  1
]