data_[Ba8Tb4Mg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cmc2_1]
_cell_length_a [4.6673]
_cell_length_b [20.0973]
_cell_length_c [14.1552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbMgTe5]
_chemical_formula_sum '[Ba8 Tb4 Mg4 Te20]'
_cell_volume [1327.7647]
_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
[
  Ba  Ba0  4  0.0000  0.1125  0.6880  1.0
  Ba  Ba1  4  0.0000  0.1274  0.3157  1.0
  Tb  Tb2  4  0.0000  0.2075  0.0158  1.0
  Mg  Mg3  4  0.0000  0.4409  0.4442  1.0
  Te  Te4  4  0.0000  0.0537  0.0535  1.0
  Te  Te5  4  0.0000  0.2905  0.6612  1.0
  Te  Te6  4  0.0000  0.3062  0.3669  1.0
  Te  Te7  4  0.0000  0.3592  0.0065  1.0
  Te  Te8  4  0.0000  0.4960  0.7721  1.0
]