data_[Ba4Tm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6845]
_cell_length_b [13.3154]
_cell_length_c [8.4067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2(TmTe2)3]
_chemical_formula_sum '[Ba4 Tm6 Te12]'
_cell_volume [818.8211]
_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  0.0000  0.1660  0.5000  1
  Tm  Tm1  4  0.0000  0.3313  0.0000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.2408  0.8359  0.2141  1
  Te  Te4  4  0.2328  0.5000  0.2122  1
]