data_[Na2Ca2Tl6Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4320]
_cell_length_b [5.1148]
_cell_length_c [9.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCaTl3Cd]
_chemical_formula_sum '[Na2 Ca2 Tl6 Cd2]'
_cell_volume [350.5399]
_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
[
  Na  Na0  2  0.3125  0.7500  0.8927  1.0
  Ca  Ca1  2  0.2079  0.2500  0.2938  1.0
  Tl  Tl2  2  0.0007  0.2500  0.9059  1.0
  Tl  Tl3  2  0.3389  0.7500  0.5459  1.0
  Tl  Tl4  2  0.4965  0.7500  0.2411  1.0
  Cd  Cd5  2  0.0732  0.2500  0.6060  1.0
]