data_[Ba12Tl4Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1204]
_cell_length_b [9.5874]
_cell_length_c [13.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Tl2Ga]
_chemical_formula_sum '[Ba12 Tl4 Ga2]'
_cell_volume [885.3713]
_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
[
  Ba  Ba0  4  0.1019  0.5386  0.7422  1.0
  Ba  Ba1  4  0.2151  0.1798  0.5672  1.0
  Ba  Ba2  4  0.3968  0.6742  0.5587  1.0
  Tl  Tl3  4  0.3087  0.6192  0.2550  1.0
  Ga  Ga4  2  0.5000  0.0000  0.5000  1.0
]