data_[La12Nd4Ga8]
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 [C2/m]
_cell_length_a [17.9611]
_cell_length_b [4.6259]
_cell_length_c [9.4303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3NdGa2]
_chemical_formula_sum '[La12 Nd4 Ga8]'
_cell_volume [724.9316]
_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  4  0.0475  0.0000  0.6842  1.0
  La  La1  4  0.1519  0.5000  0.4745  1.0
  La  La2  4  0.1810  0.5000  0.9341  1.0
  Nd  Nd3  4  0.1143  0.0000  0.1345  1.0
  Ga  Ga4  4  0.0026  0.5000  0.1414  1.0
  Ga  Ga5  4  0.2339  0.0000  0.7180  1.0
]