data_[Nd20Zn8Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6463]
_cell_length_b [7.6463]
_cell_length_c [15.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5Zn2Ga]
_chemical_formula_sum '[Nd20 Zn8 Ga4]'
_cell_volume [911.4039]
_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  16  0.1688  0.3312  0.6523  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.1187  0.6187  0.5000  1.0
  Ga  Ga3  4  0.0000  0.0000  0.2500  1.0
]