data_[Ba10Tm2Te12]
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 [8.4599]
_cell_length_b [14.6241]
_cell_length_c [8.4373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5TmTe6]
_chemical_formula_sum '[Ba10 Tm2 Te12]'
_cell_volume [982.7615]
_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  0.1733  0.5000  1.0
  Ba  Ba1  4  0.0000  0.3352  0.0000  1.0
  Ba  Ba2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2295  0.1532  0.2311  1.0
  Te  Te5  4  0.2245  0.0000  0.7641  1.0
]