data_[Tl4Ga4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5115]
_cell_length_b [3.5110]
_cell_length_c [8.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlGaO2]
_chemical_formula_sum '[Tl4 Ga4 O8]'
_cell_volume [296.9708]
_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  0.1095  0.0000  0.8625  1.0
  Ga  Ga1  4  0.1371  0.5000  0.5150  1.0
  O  O2  4  0.0169  0.5000  0.6625  1.0
  O  O3  4  0.2183  0.0000  0.5979  1.0
]