data_[Sm3Ga1B2Pt9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7709]
_cell_length_b [5.7709]
_cell_length_c [9.2683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm3GaB2Pt9]
_chemical_formula_sum '[Sm3 Ga1 B2 Pt9]'
_cell_volume [267.3137]
_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
[
  Sm  Sm0  2  0.3333  0.6667  0.3911  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  1  0.0000  0.0000  0.5000  1.0
  B  B3  2  0.3333  0.6667  0.8509  1.0
  Pt  Pt4  6  0.1650  0.3300  0.7120  1.0
  Pt  Pt5  3  0.0000  0.5000  0.0000  1.0
]