data_[La3Nd12Ga6]
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 [R-3m]
_cell_length_a [5.0369]
_cell_length_b [5.0369]
_cell_length_c [31.4535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La(Nd2Ga)2]
_chemical_formula_sum '[La3 Nd12 Ga6]'
_cell_volume [691.0887]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Nd  Nd1  6  0.0000  0.0000  0.1046  1
  Nd  Nd2  6  0.0000  0.0000  0.2984  1
  Ga  Ga3  6  0.0000  0.0000  0.4004  1
]