data_[Nd6Al8Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9505]
_cell_length_b [4.5085]
_cell_length_c [8.7350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Al2Ga)2]
_chemical_formula_sum '[Nd6 Al8 Ga4]'
_cell_volume [407.3076]
_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  0.1697  0.5000  0.6632  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0467  0.0000  0.3802  1.0
  Al  Al3  4  0.2285  0.5000  0.0635  1.0
  Ga  Ga4  4  0.1106  0.5000  0.2773  1.0
]