data_[Nd12Ga8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1943]
_cell_length_b [4.4810]
_cell_length_c [11.4415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3Ga2Pd]
_chemical_formula_sum '[Nd12 Ga8 Pd4]'
_cell_volume [625.1949]
_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  0.0471  0.2500  0.3775  1
  Nd  Nd1  4  0.1207  0.7500  0.9415  1
  Nd  Nd2  4  0.2263  0.2500  0.7005  1
  Ga  Ga3  4  0.0129  0.7500  0.1958  1
  Ga  Ga4  4  0.1933  0.7500  0.4921  1
  Pd  Pd5  4  0.1228  0.2500  0.1240  1
]