data_[K4Tl6Ga2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7648]
_cell_length_b [4.5282]
_cell_length_c [9.0782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl3GaCl6]
_chemical_formula_sum '[K4 Tl6 Ga2 Cl12]'
_cell_volume [789.9192]
_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
[
  K  K0  4  0.1653  0.0000  0.3298  1.0
  Tl  Tl1  4  0.1665  0.0000  0.8337  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  4  0.0008  0.0000  0.2383  1.0
  Cl  Cl5  4  0.1603  0.5000  0.0843  1.0
  Cl  Cl6  4  0.1683  0.5000  0.5768  1.0
]