data_[Ba2Cu4Sn2Te8]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [7.2213]
_cell_length_b [8.4804]
_cell_length_c [8.9541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [BaCu2SnTe4]
_chemical_formula_sum '[Ba2 Cu4 Sn2 Te8]'
_cell_volume [548.3374]
_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  0.0000  1.0
  Cu  Cu1  4  0.0000  0.5000  0.1460  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2334  0.1845  0.3189  1.0
]