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 [4.4467]
_cell_length_b [20.5464]
_cell_length_c [13.8429]
_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 [1264.7335]
_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  0.1217  0.6887  1.0
  Ba  Ba1  4  0.0000  0.1288  0.3118  1.0
  Mn  Mn2  4  0.0000  0.2099  0.0262  1.0
  Al  Al3  4  0.0000  0.4270  0.4339  1.0
  Te  Te4  4  0.0000  0.0660  0.0457  1.0
  Te  Te5  4  0.0000  0.2882  0.6541  1.0
  Te  Te6  4  0.0000  0.3029  0.3808  1.0
  Te  Te7  4  0.0000  0.3431  0.0035  1.0
  Te  Te8  4  0.0000  0.4978  0.2792  1.0
]