data_[Sm2Ga1Si1Br2]
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
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1092]
_cell_length_b [4.1092]
_cell_length_c [11.4897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm2GaSiBr2]
_chemical_formula_sum '[Sm2 Ga1 Si1 Br2]'
_cell_volume [168.0145]
_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  1  0.3333  0.6667  0.1805  1
  Sm  Sm1  1  0.3333  0.6667  0.8200  1
  Ga  Ga2  1  0.0000  0.0000  0.9813  1
  Si  Si3  1  0.6667  0.3333  0.0179  1
  Br  Br4  1  0.0000  0.0000  0.3406  1
  Br  Br5  1  0.6667  0.3333  0.6597  1
]