data_[Tl4Cr4Ga2S12]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1743]
_cell_length_b [10.7969]
_cell_length_c [7.5492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cr2GaS6]
_chemical_formula_sum '[Tl4 Cr4 Ga2 S12]'
_cell_volume [484.7834]
_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  4  0.0000  0.1629  0.0000  1.0
  Cr  Cr1  4  0.0000  0.3291  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2316  0.1721  0.6793  1.0
  S  S4  4  0.2175  0.5000  0.6727  1.0
]