data_[Ba2La8Te10]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4953]
_cell_length_b [4.6318]
_cell_length_c [11.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLa4Te5]
_chemical_formula_sum '[Ba2 La8 Te10]'
_cell_volume [712.0094]
_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  0.0000  0.0000  0.0000  1
  La  La1  4  0.0950  0.5000  0.3999  1
  La  La2  4  0.2006  0.0000  0.7887  1
  Te  Te3  4  0.1107  0.5000  0.8967  1
  Te  Te4  4  0.2019  0.0000  0.3118  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
]