data_[Ba8Mn4Al4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4398]
_cell_length_b [20.4210]
_cell_length_c [13.8725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2MnAlTe5]
_chemical_formula_sum '[Ba8 Mn4 Al4 Te20]'
_cell_volume [1257.7506]
_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  0.1220  0.6892  1
  Ba  Ba1  4  0.0000  0.1293  0.3117  1
  Mn  Mn2  4  0.0000  0.2095  0.0266  1
  Al  Al3  4  0.0000  0.4268  0.4338  1
  Te  Te4  4  0.0000  0.0664  0.0456  1
  Te  Te5  4  0.0000  0.2885  0.6544  1
  Te  Te6  4  0.0000  0.3028  0.3796  1
  Te  Te7  4  0.0000  0.3430  0.0035  1
  Te  Te8  4  0.0000  0.4980  0.2796  1
]