data_[Tl8Cr4Sn4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.0697]
_cell_length_b [8.7240]
_cell_length_c [11.8172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl2CrSnSe4]
_chemical_formula_sum '[Tl8 Cr4 Sn4 Se16]'
_cell_volume [831.9338]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2500  0.2500  0.7500  1.0
  Cr  Cr2  4  0.2500  0.2500  0.2500  1.0
  Sn  Sn3  4  0.0000  0.0000  0.5000  1.0
  Se  Se4  8  0.0000  0.0547  0.2559  1.0
  Se  Se5  8  0.2385  0.2500  0.4699  1.0
]