data_[Ba8Al4Cr4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3965]
_cell_length_b [20.6507]
_cell_length_c [13.7870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2AlCrTe5]
_chemical_formula_sum '[Ba8 Al4 Cr4 Te20]'
_cell_volume [1251.7449]
_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  0.1242  0.6864  1.0
  Ba  Ba1  4  0.0000  0.1274  0.3103  1.0
  Al  Al2  4  0.0000  0.4277  0.4345  1.0
  Cr  Cr3  4  0.0000  0.2063  0.0247  1.0
  Te  Te4  4  0.0000  0.0661  0.0472  1.0
  Te  Te5  4  0.0000  0.2892  0.6534  1.0
  Te  Te6  4  0.0000  0.3029  0.3886  1.0
  Te  Te7  4  0.0000  0.3400  0.0014  1.0
  Te  Te8  4  0.0000  0.4959  0.2775  1.0
]