data_[Ba2Cd2Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6556]
_cell_length_b [4.6361]
_cell_length_c [10.5656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCdSnTe3]
_chemical_formula_sum '[Ba2 Cd2 Sn2 Te6]'
_cell_volume [463.5511]
_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  0.1783  0.2500  0.2187  1.0
  Cd  Cd1  2  0.0961  0.2500  0.6052  1.0
  Sn  Sn2  2  0.3461  0.7500  0.8699  1.0
  Te  Te3  2  0.1056  0.2500  0.8739  1.0
  Te  Te4  2  0.2176  0.7500  0.5024  1.0
  Te  Te5  2  0.4296  0.7500  0.1567  1.0
]