data_[Ba1Te4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8506]
_cell_length_b [8.4681]
_cell_length_c [9.1961]
_cell_angle_alpha [62.8935]
_cell_angle_beta [70.9997]
_cell_angle_gamma [73.2457]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba(Te2Cl3)2]
_chemical_formula_sum '[Ba1 Te4 Cl6]'
_cell_volume [442.7617]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.2290  0.6537  0.4757  1.0
  Te  Te2  2  0.4792  0.3721  0.3641  1.0
  Cl  Cl3  2  0.0035  0.5911  0.2468  1.0
  Cl  Cl4  2  0.2365  0.9002  0.7035  1.0
  Cl  Cl5  2  0.3609  0.9009  0.1956  1.0
]