data_[Ba8Co4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5845]
_cell_length_b [4.7301]
_cell_length_c [18.7573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba2CoTe3]
_chemical_formula_sum '[Ba8 Co4 Te12]'
_cell_volume [850.3717]
_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  0.1010  0.7500  0.2931  1
  Ba  Ba1  4  0.2343  0.2500  0.0485  1
  Co  Co2  4  0.1362  0.7500  0.8664  1
  Te  Te3  4  0.0209  0.2500  0.8923  1
  Te  Te4  4  0.1292  0.2500  0.4343  1
  Te  Te5  4  0.1669  0.7500  0.7282  1
]