data_[Nd8Sc4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8392]
_cell_length_b [4.5189]
_cell_length_c [11.1292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2ScGa2]
_chemical_formula_sum '[Nd8 Sc4 Ga8]'
_cell_volume [517.9812]
_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  0.0195  0.5000  0.6853  1.0
  Nd  Nd1  4  0.1887  0.5000  0.1062  1.0
  Sc  Sc2  4  0.2147  0.0000  0.3721  1.0
  Ga  Ga3  4  0.0219  0.0000  0.8949  1.0
  Ga  Ga4  4  0.1279  0.0000  0.5687  1.0
]