data_[Tb1Sm1Ga2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9256]
_cell_length_b [3.9256]
_cell_length_c [8.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbSmGa2F2]
_chemical_formula_sum '[Tb1 Sm1 Ga2 F2]'
_cell_volume [117.9231]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.7461  1
  Sm  Sm1  1  0.0000  0.0000  0.2544  1
  Ga  Ga2  1  0.3333  0.6667  0.5461  1
  Ga  Ga3  1  0.6667  0.3333  0.4597  1
  F  F4  1  0.3333  0.6667  0.1310  1
  F  F5  1  0.6667  0.3333  0.8627  1
]