data_[Ba4Sr6La2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  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 [20.8957]
_cell_length_b [4.7837]
_cell_length_c [9.6509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sr3LaTe6]
_chemical_formula_sum '[Ba4 Sr6 La2 Te12]'
_cell_volume [939.5042]
_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  4  0.1659  0.0000  0.3337  1.0
  Sr  Sr1  4  0.1683  0.0000  0.8346  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  La  La3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0039  0.0000  0.7619  1.0
  Te  Te5  4  0.1621  0.5000  0.0715  1.0
  Te  Te6  4  0.1630  0.5000  0.5928  1.0
]