data_[Sm4Mg12Ga8]
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 [C2/m]
_cell_length_a [16.4679]
_cell_length_b [4.4712]
_cell_length_c [8.2426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmMg3Ga2]
_chemical_formula_sum '[Sm4 Mg12 Ga8]'
_cell_volume [535.0716]
_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  0.1398  0.0000  0.0693  1.0
  Mg  Mg1  4  0.0446  0.0000  0.3748  1.0
  Mg  Mg2  4  0.1122  0.5000  0.7268  1.0
  Mg  Mg3  4  0.1868  0.5000  0.4606  1.0
  Ga  Ga4  4  0.0158  0.5000  0.1604  1.0
  Ga  Ga5  4  0.2114  0.0000  0.7354  1.0
]