data_[Tb12Ga4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2525]
_cell_length_b [13.9863]
_cell_length_c [6.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3GaSe6]
_chemical_formula_sum '[Tb12 Ga4 Se24]'
_cell_volume [1069.5385]
_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
[
  Tb  Tb0  8  0.1837  0.0978  0.0144  1.0
  Tb  Tb1  4  0.0000  0.4035  0.1145  1.0
  Ga  Ga2  4  0.0000  0.2020  0.4792  1.0
  Se  Se3  8  0.1627  0.4666  0.8158  1.0
  Se  Se4  8  0.1680  0.2674  0.2968  1.0
  Se  Se5  4  0.0000  0.0394  0.3318  1.0
  Se  Se6  4  0.0000  0.2188  0.8352  1.0
]