data_[La4Nd16Ga4]
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/c]
_cell_length_a [9.1433]
_cell_length_b [13.9700]
_cell_length_c [6.4555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaNd4Ga]
_chemical_formula_sum '[La4 Nd16 Ga4]'
_cell_volume [774.3749]
_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  0.0000  0.3836  0.7500  1.0
  Nd  Nd1  8  0.1014  0.1807  0.0608  1.0
  Nd  Nd2  8  0.2218  0.4044  0.3616  1.0
  Ga  Ga3  4  0.0000  0.0016  0.7500  1.0
]