data_[La12Nd12Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5129]
_cell_length_b [12.0906]
_cell_length_c [18.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Nd3Ga2]
_chemical_formula_sum '[La12 Nd12 Ga8]'
_cell_volume [1003.5060]
_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
[
  La  La0  8  0.0000  0.0430  0.6150  1.0
  La  La1  4  0.0000  0.3273  0.7500  1.0
  Nd  Nd2  8  0.0000  0.3536  0.5231  1.0
  Nd  Nd3  4  0.0000  0.3921  0.2500  1.0
  Ga  Ga4  8  0.0000  0.2393  0.1258  1.0
]