data_[Tb3Y12Mg3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3652]
_cell_length_b [8.3652]
_cell_length_c [20.5053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbY4MgSe8]
_chemical_formula_sum '[Tb3 Y12 Mg3 Se24]'
_cell_volume [1242.6517]
_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  3  0.0000  0.0000  0.9963  1.0
  Y  Y1  9  0.0099  0.5049  0.5012  1.0
  Y  Y2  3  0.0000  0.0000  0.3750  1.0
  Mg  Mg3  3  0.0000  0.0000  0.6249  1.0
  Se  Se4  9  0.0218  0.5109  0.7530  1.0
  Se  Se5  9  0.1712  0.8288  0.5820  1.0
  Se  Se6  3  0.0000  0.0000  0.2416  1.0
  Se  Se7  3  0.0000  0.0000  0.7535  1.0
]