data_[Nd2Zn22Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2397]
_cell_length_b [12.7492]
_cell_length_c [6.7776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdZn11Si]
_chemical_formula_sum '[Nd2 Zn22 Si2]'
_cell_volume [419.7193]
_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
  Zn  Zn1  8  0.1042  0.3908  0.2172  1
  Zn  Zn2  8  0.1786  0.8213  0.3557  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.5000  1
  Si  Si5  2  0.0000  0.0000  0.5000  1
]