data_[Ba4Ga2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2258]
_cell_length_b [6.8547]
_cell_length_c [9.9490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2GaTe4]
_chemical_formula_sum '[Ba4 Ga2 Te8]'
_cell_volume [535.1714]
_cell_formula_units_Z [2]
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  2  0.2314  0.7500  0.4328  1.0
  Ba  Ba1  2  0.2549  0.7500  0.9402  1.0
  Ga  Ga2  2  0.2436  0.2500  0.1879  1.0
  Te  Te3  4  0.4985  0.0098  0.7408  1.0
  Te  Te4  2  0.0805  0.2500  0.3780  1.0
  Te  Te5  2  0.0964  0.2500  0.9164  1.0
]