data_[Ba2Cu4Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.8993]
_cell_length_b [4.3168]
_cell_length_c [5.8436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCu2Te]
_chemical_formula_sum '[Ba2 Cu4 Te2]'
_cell_volume [209.0842]
_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  0.0000  0.0000  0.5000  1
  Cu  Cu1  4  0.2194  0.0000  0.0981  1
  Te  Te2  2  0.0000  0.5000  0.0000  1
]