data_[Nd12Zn4Ga12]
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 [C2/m]
_cell_length_a [10.9936]
_cell_length_b [4.5298]
_cell_length_c [14.6049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3ZnGa3]
_chemical_formula_sum '[Nd12 Zn4 Ga12]'
_cell_volume [683.1640]
_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  0.0497  0.5000  0.3853  1
  Nd  Nd1  4  0.0985  0.5000  0.9185  1
  Nd  Nd2  4  0.2492  0.0000  0.7799  1
  Zn  Zn3  4  0.2469  0.5000  0.6081  1
  Ga  Ga4  4  0.0469  0.0000  0.2342  1
  Ga  Ga5  4  0.1102  0.0000  0.0724  1
  Ga  Ga6  4  0.1294  0.0000  0.5447  1
]