data_[Y3Tl6Ga3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [R3]
_cell_length_a [7.7307]
_cell_length_b [7.7307]
_cell_length_c [19.3320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YTl2GaCl6]
_chemical_formula_sum '[Y3 Tl6 Ga3 Cl18]'
_cell_volume [1000.5709]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.3206  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0298  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5371  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8130  1.0
  Cl  Cl4  9  0.0373  0.6137  0.0730  1.0
  Cl  Cl5  9  0.0856  0.3482  0.9141  1.0
]