data_[Ba4Tm4Cu4Te12]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6100]
_cell_length_b [4.4741]
_cell_length_c [9.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTmCuTe3]
_chemical_formula_sum '[Ba4 Tm4 Cu4 Te12]'
_cell_volume [775.5298]
_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  0.1307  0.0000  0.0701  1
  Tm  Tm1  4  0.1618  0.0000  0.5795  1
  Cu  Cu2  4  0.0404  0.5000  0.7038  1
  Te  Te3  4  0.1754  0.5000  0.8105  1
  Te  Te4  4  0.1768  0.5000  0.3626  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]