data_[Sm4Ga4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.4939]
_cell_length_b [4.4939]
_cell_length_c [17.2022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [SmGaSn]
_chemical_formula_sum '[Sm4 Ga4 Sn4]'
_cell_volume [300.8528]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  2  0.0000  0.0000  0.2500  1
  Ga  Ga2  4  0.3333  0.6667  0.3505  1
  Sn  Sn3  4  0.3333  0.6667  0.8886  1
]