data_[Ba8La4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5925]
_cell_length_b [20.8600]
_cell_length_c [14.3189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2LaGaTe5]
_chemical_formula_sum '[Ba8 La4 Ga4 Te20]'
_cell_volume [1371.7482]
_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  0.1197  0.6859  1.0
  Ba  Ba1  4  0.0000  0.1221  0.3283  1.0
  La  La2  4  0.0000  0.2037  0.0256  1.0
  Ga  Ga3  4  0.0000  0.4397  0.4284  1.0
  Te  Te4  4  0.0000  0.0423  0.0355  1.0
  Te  Te5  4  0.0000  0.2964  0.6788  1.0
  Te  Te6  4  0.0000  0.3162  0.3649  1.0
  Te  Te7  4  0.0000  0.3539  0.0082  1.0
  Te  Te8  4  0.0000  0.4997  0.7683  1.0
]