data_[Tl2Ga2O4]
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 [Pm]
_cell_length_a [5.0884]
_cell_length_b [3.1360]
_cell_length_c [8.7093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlGaO2]
_chemical_formula_sum '[Tl2 Ga2 O4]'
_cell_volume [136.2962]
_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  1  0.3805  0.0000  0.4589  1.0
  Tl  Tl1  1  0.7723  0.5000  0.1428  1.0
  Ga  Ga2  1  0.1649  0.0000  0.8122  1.0
  Ga  Ga3  1  0.6708  0.5000  0.7866  1.0
  O  O4  1  0.0318  0.5000  0.9214  1.0
  O  O5  1  0.2971  0.5000  0.6778  1.0
  O  O6  1  0.5412  0.0000  0.9247  1.0
  O  O7  1  0.7906  0.0000  0.6740  1.0
]