data_[Tb12Mg3Te15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3022]
_cell_length_b [4.3022]
_cell_length_c [54.6679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4MgTe5]
_chemical_formula_sum '[Tb12 Mg3 Te15]'
_cell_volume [876.2855]
_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  6  0.0000  0.0000  0.0987  1.0
  Tb  Tb1  6  0.0000  0.0000  0.2984  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te3  6  0.0000  0.0000  0.1983  1.0
  Te  Te4  6  0.0000  0.0000  0.4003  1.0
  Te  Te5  3  0.0000  0.0000  0.0000  1.0
]