data_[Nd1Sm2Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1836]
_cell_length_b [5.1836]
_cell_length_c [6.3694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NdSm2Ga3]
_chemical_formula_sum '[Nd1 Sm2 Ga3]'
_cell_volume [148.2185]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.3333  0.6667  0.3359  1.0
  Ga  Ga2  2  0.3333  0.6667  0.8329  1.0
  Ga  Ga3  1  0.0000  0.0000  0.5000  1.0
]