data_[Sm4Mg4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0192]
_cell_length_b [4.3815]
_cell_length_c [11.4798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmMgGa2]
_chemical_formula_sum '[Sm4 Mg4 Ga8]'
_cell_volume [353.0572]
_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
[
  Sm  Sm0  4  0.1465  0.2500  0.8526  1.0
  Mg  Mg1  4  0.1440  0.2500  0.5544  1.0
  Ga  Ga2  4  0.0266  0.2500  0.3292  1.0
  Ga  Ga3  4  0.1601  0.2500  0.1294  1.0
]