data_[Sm2Ga1Ni6B1]
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
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3902]
_cell_length_b [5.3902]
_cell_length_c [5.7960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm2GaNi6B]
_chemical_formula_sum '[Sm2 Ga1 Ni6 B1]'
_cell_volume [145.8360]
_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  0.3196  1.0
  Ga  Ga1  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  6  0.1811  0.3623  0.8233  1.0
  B  B3  1  0.0000  0.0000  0.0000  1.0
]