data_[Sm8Zn8Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.0252]
_cell_length_b [4.2206]
_cell_length_c [10.9568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmZnGa2]
_chemical_formula_sum '[Sm8 Zn8 Ga16]'
_cell_volume [648.5892]
_cell_formula_units_Z [8]
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
[
  Sm  Sm0  4  0.0469  0.2500  0.7482  1
  Sm  Sm1  4  0.2028  0.7500  0.0346  1
  Zn  Zn2  4  0.0543  0.2500  0.4525  1
  Zn  Zn3  4  0.2094  0.7500  0.3313  1
  Ga  Ga4  4  0.0349  0.2500  0.0350  1
  Ga  Ga5  4  0.1173  0.2500  0.2351  1
  Ga  Ga6  4  0.1313  0.7500  0.5437  1
  Ga  Ga7  4  0.2030  0.7500  0.7512  1
]