data_[Ba2Tm2Cu2Te6]
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 [P2_1/m]
_cell_length_a [9.3824]
_cell_length_b [4.4245]
_cell_length_c [9.8942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTmCuTe3]
_chemical_formula_sum '[Ba2 Tm2 Cu2 Te6]'
_cell_volume [395.7678]
_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  0.1910  0.2500  0.2486  1.0
  Tm  Tm1  2  0.3258  0.7500  0.8425  1.0
  Cu  Cu2  2  0.0735  0.2500  0.5805  1.0
  Te  Te3  2  0.1088  0.2500  0.8635  1.0
  Te  Te4  2  0.2196  0.7500  0.5272  1.0
  Te  Te5  2  0.4494  0.7500  0.1653  1.0
]