data_[Tb6Ce3Mg3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8672]
_cell_length_b [6.8672]
_cell_length_c [18.2638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb2CeMgS6]
_chemical_formula_sum '[Tb6 Ce3 Mg3 S18]'
_cell_volume [745.8961]
_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  0.0199  1
  Tb  Tb1  3  0.0000  0.0000  0.5188  1
  Ce  Ce2  3  0.0000  0.0000  0.8174  1
  Mg  Mg3  3  0.0000  0.0000  0.3163  1
  S  S4  9  0.0111  0.7104  0.4136  1
  S  S5  9  0.0160  0.3120  0.9161  1
]