data_[Nd12Zn12In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1399]
_cell_length_b [4.7765]
_cell_length_c [13.5663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Zn3In]
_chemical_formula_sum '[Nd12 Zn12 In4]'
_cell_volume [700.0935]
_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  0.0623  0.5000  0.3844  1
  Nd  Nd1  4  0.0879  0.5000  0.9110  1
  Nd  Nd2  4  0.2441  0.0000  0.8024  1
  Zn  Zn3  4  0.0478  0.0000  0.2280  1
  Zn  Zn4  4  0.1136  0.0000  0.0569  1
  Zn  Zn5  4  0.1173  0.0000  0.5482  1
  In  In6  4  0.2343  0.5000  0.6240  1
]