data_[Nd16In2Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5955]
_cell_length_b [4.9973]
_cell_length_c [8.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8InGa2]
_chemical_formula_sum '[Nd16 In2 Ga4]'
_cell_volume [665.2639]
_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  4  0.0504  0.0000  0.7390  1.0
  Nd  Nd1  4  0.0999  0.5000  0.4548  1.0
  Nd  Nd2  4  0.1703  0.0000  0.2561  1.0
  Nd  Nd3  4  0.1761  0.5000  0.9478  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2120  0.0000  0.6663  1.0
]