data_[Tb12Tm3Mg3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3535]
_cell_length_b [8.3535]
_cell_length_c [20.4404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb4TmMgSe8]
_chemical_formula_sum '[Tb12 Tm3 Mg3 Se24]'
_cell_volume [1235.2465]
_cell_formula_units_Z [3]
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  9  0.1713  0.3426  0.8322  1.0
  Tb  Tb1  3  0.0000  0.0000  0.6246  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0037  1.0
  Mg  Mg3  3  0.0000  0.0000  0.3747  1.0
  Se  Se4  9  0.0113  0.5056  0.7499  1.0
  Se  Se5  9  0.1795  0.3589  0.5821  1.0
  Se  Se6  3  0.0000  0.0000  0.2466  1.0
  Se  Se7  3  0.0000  0.0000  0.7580  1.0
]