data_[Tl4Cd2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5980]
_cell_length_b [5.2253]
_cell_length_c [6.9965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2CdSn]
_chemical_formula_sum '[Tl4 Cd2 Sn2]'
_cell_volume [232.5033]
_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
[
  Tl  Tl0  1  0.4678  0.5000  0.8796  1.0
  Tl  Tl1  1  0.7339  0.0000  0.2208  1.0
  Tl  Tl2  1  0.7771  0.0000  0.7297  1.0
  Tl  Tl3  1  0.9372  0.5000  0.5080  1.0
  Cd  Cd4  1  0.2265  0.0000  0.0605  1.0
  Cd  Cd5  1  0.9823  0.5000  0.0172  1.0
  Sn  Sn6  1  0.2609  0.0000  0.5612  1.0
  Sn  Sn7  1  0.4037  0.5000  0.3601  1.0
]