data_[Ba2Y2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [9.4254]
_cell_length_b [4.4346]
_cell_length_c [9.8905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaYCuTe3]
_chemical_formula_sum '[Ba2 Y2 Cu2 Te6]'
_cell_volume [398.8686]
_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  0.1902  0.2500  0.2475  1.0
  Y  Y1  2  0.3256  0.7500  0.8418  1.0
  Cu  Cu2  2  0.0759  0.2500  0.5827  1.0
  Te  Te3  2  0.1063  0.2500  0.8637  1.0
  Te  Te4  2  0.2161  0.7500  0.5245  1.0
  Te  Te5  2  0.4478  0.7500  0.1680  1.0
]